EVODEX.1-P1854

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:100])([H:101])[H:102])([C:3]([H:67])([H:68])[H:69])[C:4]([O:5][P:6](=[O:7])([O:8][H:70])[O:9][P:10](=[O:11])([O:12][H:71])[O:13][C:14]([C@@:15]1([H:72])[O:16][C@:17]([N:18]2:[C:19]([H:73]):[N:20]:[C:21]3:[C:22]([N:23]([H:74])[H:75]):[N:24]:[C:25]([H:76]):[N:26]:[C:27]:2:3)([H:77])[C@@:28]([O:29][H:78])([H:79])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:80])[O:35][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([O:37][H:87])[H:99])=[O:39])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:44])[H:93])([H:91])[H:92])([H:89])[H:90].[C:49]([C:50]([C:51]([C:52]([C:53]([C:54](=[O:55])[C:56]([O:57][H:103])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[C:62]([N+:63]([C:64]([H:107])([H:108])[H:109])([C:65]([H:110])([H:111])[H:112])[C:66]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])([H:127])[H:128]>>[C:1]([C:2]([C:3]([H:67])([H:68])[H:69])([C:4]([O:5][P:6](=[O:7])([O:8][H:70])[O:9][P:10](=[O:11])([O:12][H:71])[O:13][C:14]([C@@:15]1([H:72])[O:16][C@:17]([N:18]2:[C:19]([H:73]):[N:20]:[C:21]3:[C:22]([N:23]([H:74])[H:75]):[N:24]:[C:25]([H:76]):[N:26]:[C:27]:2:3)([H:77])[C@@:28]([O:29][H:78])([H:79])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:80])[O:35][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[C@@:36]([O:37][H:87])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:126])([H:127])[H:128])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])=[O:55])([H:89])[H:90])([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][C:56]([O:57][H:103])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[C:62]([N+:63]([C:64]([H:107])([H:108])[H:109])([C:65]([H:110])([H:111])[H:112])[C:66]([H:113])([H:114])[H:115])([H:116])[H:117]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E279 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#6:52]-[#6:53](=[#8:54])-[#6:55](-[#8:56])(-[#6:57])-[#6:61]>>[#6:47]-[#16:48]-[#6:53](-[#6:52])=[#8:54].[#6:55](-[#8:56])(-[#6:57])(-[#6:61])-[H]

EVODEX.1-C86 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-N327 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Em435 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

EVODEX.1-Cm114 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#6:4].[H]-[#16:104]>>[#6:2]-[#16:104].[H]-[#6:4]

EVODEX.1-Nm389 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#6:53]-[#6:54](=[#8:55])-[#6:56](-[#8:57])(-[#6:58])-[#6:62]>>[#6:47]-[#16:48]-[#6:54](-[#6:53])=[#8:55].[H]-[#6:56](-[#8:57])(-[#6:58])-[#6:62]

Source Full Reactions

EVODEX.1-R2552

Full Reaction Rendering

[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:100])([H:101])[H:102])([C:3]([H:67])([H:68])[H:69])[C:4]([O:5][P:6](=[O:7])([O:8][H:70])[O:9][P:10](=[O:11])([O:12][H:71])[O:13][C:14]([C@@:15]1([H:72])[O:16][C@:17]([N:18]2:[C:19]([H:73]):[N:20]:[C:21]3:[C:22]([N:23]([H:74])[H:75]):[N:24]:[C:25]([H:76]):[N:26]:[C:27]:2:3)([H:77])[C@@:28]([O:29][H:78])([H:79])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:80])[O:35][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([O:37][H:87])[H:99])=[O:39])[H:98])([H:96])[H:97])([H:94])[H:95])=[O:44])[H:93])([H:91])[H:92])([H:89])[H:90].[C:49]([C:50]([C:51]([C:52]([C:53]([C:54](=[O:55])[C:56]([O:57][H:103])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[C:62]([N+:63]([C:64]([H:107])([H:108])[H:109])([C:65]([H:110])([H:111])[H:112])[C:66]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])([H:127])[H:128]>>[C:1]([C:2]([C:3]([H:67])([H:68])[H:69])([C:4]([O:5][P:6](=[O:7])([O:8][H:70])[O:9][P:10](=[O:11])([O:12][H:71])[O:13][C:14]([C@@:15]1([H:72])[O:16][C@:17]([N:18]2:[C:19]([H:73]):[N:20]:[C:21]3:[C:22]([N:23]([H:74])[H:75]):[N:24]:[C:25]([H:76]):[N:26]:[C:27]:2:3)([H:77])[C@@:28]([O:29][H:78])([H:79])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:80])[O:35][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[C@@:36]([O:37][H:87])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:126])([H:127])[H:128])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])=[O:55])([H:89])[H:90])([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][C:56]([O:57][H:103])([C:58]([C:59](=[O:60])[O:61][H:104])([H:105])[H:106])[C:62]([N+:63]([C:64]([H:107])([H:108])[H:109])([C:65]([H:110])([H:111])[H:112])[C:66]([H:113])([H:114])[H:115])([H:116])[H:117]