EVODEX.1-P325

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:117])([H:118])[H:119])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:6]([H:70])([H:71])[H:72])[H:110])([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:73])([C:23]([C:24]([H:74])([H:75])[H:76])([C:25]([H:77])([H:78])[H:79])[C:26]([O:27][P:28](=[O:29])([O:30][H:80])[O:31][P:32](=[O:33])([O:34][H:81])[O:35][C:36]([C@@:37]1([H:82])[O:38][C@:39]([N:40]2:[C:41]([H:83]):[N:42]:[C:43]3:[C:44]([N:45]([H:84])[H:85]):[N:46]:[C:47]([H:86]):[N:48]:[C:49]:2:3)([H:87])[C@@:50]([O:51][H:88])([H:89])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108].[H][O:67][C:65]([C:63]([C:62]([C:61]([C:59](=[O:58])[O:60][H:120])([H:124])[H:125])([H:122])[H:123])=[O:64])=[O:66].[O:68]=[O:69]>>[C:65](=[O:66])=[O:67].[H][O:68][C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:117])([H:118])[H:119])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:6]([H:70])([H:71])[H:72])[H:110])([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:73])([C:23]([C:24]([H:74])([H:75])[H:76])([C:25]([H:77])([H:78])[H:79])[C:26]([O:27][P:28](=[O:29])([O:30][H:80])[O:31][P:32](=[O:33])([O:34][H:81])[O:35][C:36]([C@@:37]1([H:82])[O:38][C@:39]([N:40]2:[C:41]([H:83]):[N:42]:[C:43]3:[C:44]([N:45]([H:84])[H:85]):[N:46]:[C:47]([H:86]):[N:48]:[C:49]:2:3)([H:87])[C@@:50]([O:51][H:88])([H:89])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108].[H][O:69][C:63]([C:62]([C:61]([C:59](=[O:58])[O:60][H:120])([H:124])[H:125])([H:122])[H:123])=[O:64]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E298 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6:9](=[#8:10])-[#8:11]-[H].[#8:32]=[#8:33]>>[#6:9](=[#8:10])=[#8:11].[#6:13]-[#6@:14](-[#8:33]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8:32]-[H]

EVODEX.1-C52 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-N151 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:73](-[#6@:72])(-[#6:74])-[H:228].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6@@:73](-[#6@:72])(-[#6:74])-[H:228].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

EVODEX.1-Em233 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

EVODEX.1-Cm54 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm231 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:160]-[#6:158](-[#6:156](-[#6:155])=[#8:157])=[#8:159].[#8:161]=[#8:162]>>[#6:158](=[#8:159])=[#8:160].[H]-[#8:161]-[#6:73](-[#6:72])-[#6:74].[H]-[#8:162]-[#6:156](-[#6:155])=[#8:157]

Source Full Reactions

EVODEX.1-R355

Full Reaction Rendering

[H][C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:117])([H:118])[H:119])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:6]([H:70])([H:71])[H:72])[H:110])([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:73])([C:23]([C:24]([H:74])([H:75])[H:76])([C:25]([H:77])([H:78])[H:79])[C:26]([O:27][P:28](=[O:29])([O:30][H:80])[O:31][P:32](=[O:33])([O:34][H:81])[O:35][C:36]([C@@:37]1([H:82])[O:38][C@:39]([N:40]2:[C:41]([H:83]):[N:42]:[C:43]3:[C:44]([N:45]([H:84])[H:85]):[N:46]:[C:47]([H:86]):[N:48]:[C:49]:2:3)([H:87])[C@@:50]([O:51][H:88])([H:89])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108].[H][O:67][C:65]([C:63]([C:62]([C:61]([C:59](=[O:58])[O:60][H:120])([H:124])[H:125])([H:122])[H:123])=[O:64])=[O:66].[O:68]=[O:69]>>[C:65](=[O:66])=[O:67].[H][O:68][C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:117])([H:118])[H:119])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C:6]([H:70])([H:71])[H:72])[H:110])([C:8](=[O:9])[S:10][C:11]([C:12]([N:13]([C:14](=[O:15])[C:16]([C:17]([N:18]([C:19](=[O:20])[C@:21]([O:22][H:73])([C:23]([C:24]([H:74])([H:75])[H:76])([C:25]([H:77])([H:78])[H:79])[C:26]([O:27][P:28](=[O:29])([O:30][H:80])[O:31][P:32](=[O:33])([O:34][H:81])[O:35][C:36]([C@@:37]1([H:82])[O:38][C@:39]([N:40]2:[C:41]([H:83]):[N:42]:[C:43]3:[C:44]([N:45]([H:84])[H:85]):[N:46]:[C:47]([H:86]):[N:48]:[C:49]:2:3)([H:87])[C@@:50]([O:51][H:88])([H:89])[C@@:52]1([O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:108].[H][O:69][C:63]([C:62]([C:61]([C:59](=[O:58])[O:60][H:120])([H:124])[H:125])([H:122])[H:123])=[O:64]