EVODEX.1-P1629

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E239 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[H].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[#15:64]-[#8:67]-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N1087 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#16:48]-[#6:47].[#6:50]-[#6:51](=[#8:52])-[#8:53]-[#15:54]>>[#6:47]-[#16:48]-[#6:51](-[#6:50])=[#8:52].[H]-[#8:53]-[#15:54]

EVODEX.1-Em452 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm405 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#16:48]-[#6:47].[#15:64]-[#8:67]-[#6:68](=[#8:69])-[#6:70]>>[#6:47]-[#16:48]-[#6:68](=[#8:69])-[#6:70].[H]-[#8:67]-[#15:64]

Source Full Reactions

EVODEX.1-R2183

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