EVODEX.1-P4166

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E143 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[#8:55](-[H:99])-[H]>>[#6:49](=[#8:50])(-[#6:51])-[#8:55]-[H:99].[#6:47]-[#16:48]-[H]

EVODEX.1-C2 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-N655 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:24](-[#6@:8])(=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]-[H:64]>>[#6:24](-[#6@:8])(=[#8:25])-[#8:34]-[H:64].[H]-[#16:26]-[#6:27]

EVODEX.1-Em617 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:24](=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]>>[#6:8]-[#6:24](=[#8:25])-[#8:34].[H]-[#16:26]-[#6:27]

EVODEX.1-Cm23 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:24]-[#16:26].[H]-[#8:34]>>[#6:24]-[#8:34].[H]-[#16:26]

EVODEX.1-Nm552 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:24](=[#8:25])-[#16:26]-[#6:27].[H]-[#8:34]>>[#6:8]-[#6:24](=[#8:25])-[#8:34].[H]-[#16:26]-[#6:27]

Source Full Reactions

EVODEX.1-R5003

Full Reaction Rendering

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