EVODEX.1-P1829

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:68])([H:69])[H:70])([C:4]([O:5][P:6](=[O:7])([O:8][H:71])[O:9][P:10](=[O:11])([O:12][H:72])[O:13][C:14]([C@@:15]1([H:73])[O:16][C@:17]([N:18]2:[C:19]([H:74]):[N:20]:[C:21]3:[C:22]([N:23]([H:75])[H:76]):[N:24]:[C:25]([H:77]):[N:26]:[C:27]:2:3)([H:78])[C@@:28]([O:29][H:79])([H:80])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:81])[O:35][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[C@@:36]([O:37][H:88])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([C:52]([C:53](=[O:54])[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:103])[H:104])([H:105])([H:106])[H:107].[H][S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57](=[O:56])[O:58][H:108])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([S:64][H:109])[H:115])([H:113])[H:114])([H:111])[H:112]>>[C:49](=[O:50])([C:51]([C:52]([C:53](=[O:54])[O:55][H:89])([H:90])[H:91])([H:92])[H:93])[S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57](=[O:56])[O:58][H:108])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([S:64][H:109])[H:115])([H:113])[H:114])([H:111])[H:112].[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:105])([H:106])[H:107])([C:3]([H:68])([H:69])[H:70])[C:4]([O:5][P:6](=[O:7])([O:8][H:71])[O:9][P:10](=[O:11])([O:12][H:72])[O:13][C:14]([C@@:15]1([H:73])[O:16][C@:17]([N:18]2:[C:19]([H:74]):[N:20]:[C:21]3:[C:22]([N:23]([H:75])[H:76]):[N:24]:[C:25]([H:77]):[N:26]:[C:27]:2:3)([H:78])[C@@:28]([O:29][H:79])([H:80])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:81])[O:35][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([O:37][H:88])[H:104])=[O:39])[H:103])([H:101])[H:102])([H:99])[H:100])=[O:44])[H:98])([H:96])[H:97])([H:94])[H:95]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E221 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19].[#16:66](-[#6:67])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#16:66]-[#6:67].[#16:18](-[#6:19])-[H]

EVODEX.1-C80 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:44]-[#16:45].[H]-[#16:18]>>[#16:18]-[#6:44].[H]-[#16:45]

EVODEX.1-N1086 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:67]-[#6:66]>>[#6:49](=[#8:50])(-[#6:51])-[#16:67]-[#6:66].[H]-[#16:48]-[#6:47]

EVODEX.1-Em446 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:67]-[#6:66]>>[#6:49](=[#8:50])(-[#6:51])-[#16:67]-[#6:66].[H]-[#16:48]-[#6:47]

EVODEX.1-Cm100 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:44]-[#16:45].[H]-[#16:18]>>[#16:18]-[#6:44].[H]-[#16:45]

EVODEX.1-Nm399 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:67]-[#6:66]>>[#6:49](=[#8:50])(-[#6:51])-[#16:67]-[#6:66].[H]-[#16:48]-[#6:47]

Source Full Reactions

EVODEX.1-R2528

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:68])([H:69])[H:70])([C:4]([O:5][P:6](=[O:7])([O:8][H:71])[O:9][P:10](=[O:11])([O:12][H:72])[O:13][C:14]([C@@:15]1([H:73])[O:16][C@:17]([N:18]2:[C:19]([H:74]):[N:20]:[C:21]3:[C:22]([N:23]([H:75])[H:76]):[N:24]:[C:25]([H:77]):[N:26]:[C:27]:2:3)([H:78])[C@@:28]([O:29][H:79])([H:80])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:81])[O:35][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[C@@:36]([O:37][H:88])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([C:52]([C:53](=[O:54])[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:103])[H:104])([H:105])([H:106])[H:107].[H][S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57](=[O:56])[O:58][H:108])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([S:64][H:109])[H:115])([H:113])[H:114])([H:111])[H:112]>>[C:49](=[O:50])([C:51]([C:52]([C:53](=[O:54])[O:55][H:89])([H:90])[H:91])([H:92])[H:93])[S:67][C:66]([C:65]([C:63]([C:62]([C:61]([C:60]([C:59]([C:57](=[O:56])[O:58][H:108])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([S:64][H:109])[H:115])([H:113])[H:114])([H:111])[H:112].[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:105])([H:106])[H:107])([C:3]([H:68])([H:69])[H:70])[C:4]([O:5][P:6](=[O:7])([O:8][H:71])[O:9][P:10](=[O:11])([O:12][H:72])[O:13][C:14]([C@@:15]1([H:73])[O:16][C@:17]([N:18]2:[C:19]([H:74]):[N:20]:[C:21]3:[C:22]([N:23]([H:75])[H:76]):[N:24]:[C:25]([H:77]):[N:26]:[C:27]:2:3)([H:78])[C@@:28]([O:29][H:79])([H:80])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:81])[O:35][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([O:37][H:88])[H:104])=[O:39])[H:103])([H:101])[H:102])([H:99])[H:100])=[O:44])[H:98])([H:96])[H:97])([H:94])[H:95]