EVODEX.1-P874

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E223 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:49](=[#8:50])-[#6:51](-[#6:52](-[#6:53])(-[H:91])-[H])(-[H:93])-[H].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[#8:62](-[#8:63]-[H])-[H]

EVODEX.1-C102 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-N224 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:51](-[#6:49])(-[#6:52](-[H])(-[#6:53])-[H:91])-[H:93].[#8:62]=[#8:63]>>[#6:49]-[#6:51](=[#6:52](-[#6:53])-[H:91])-[H:93].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Em324 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:51](-[#6:49]=[#8:50])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49](=[#8:50])-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Cm127 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Nm308 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:51](-[#6:49])-[#6:52](-[H])-[#6:53].[#8:62]=[#8:63]>>[#6:49]-[#6:51]=[#6:52]-[#6:53].[H]-[#8:62]-[#8:63]-[H]

Source Full Reactions

EVODEX.1-R849

Full Reaction Rendering

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