EVODEX.1-P4164

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[C@@:36]([O:37][H:82])([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]1:[C:52]([H:83]):[C:53]([H:84]):[C:54]([C:55]([F:56])([F:57])[F:58]):[C:59]([H:85]):[C:60]:1[H:86])([H:87])[H:88])([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][O:61][H:101]>>[C:49](=[O:50])([C:51]1:[C:52]([H:83]):[C:53]([H:84]):[C:54]([C:55]([F:56])([F:57])[F:58]):[C:59]([H:85]):[C:60]:1[H:86])[O:61][H:101].[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:98])([H:99])[H:100])([C:3]([H:62])([H:63])[H:64])[C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:37][H:82])[H:97])=[O:39])[H:96])([H:94])[H:95])([H:92])[H:93])=[O:44])[H:91])([H:89])[H:90])([H:87])[H:88]

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-R5001

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[C@@:36]([O:37][H:82])([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]1:[C:52]([H:83]):[C:53]([H:84]):[C:54]([C:55]([F:56])([F:57])[F:58]):[C:59]([H:85]):[C:60]:1[H:86])([H:87])[H:88])([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][O:61][H:101]>>[C:49](=[O:50])([C:51]1:[C:52]([H:83]):[C:53]([H:84]):[C:54]([C:55]([F:56])([F:57])[F:58]):[C:59]([H:85]):[C:60]:1[H:86])[O:61][H:101].[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:98])([H:99])[H:100])([C:3]([H:62])([H:63])[H:64])[C:4]([O:5][P:6](=[O:7])([O:8][H:65])[O:9][P:10](=[O:11])([O:12][H:66])[O:13][C:14]([C@@:15]1([H:67])[O:16][C@:17]([N:18]2:[C:19]([H:68]):[N:20]:[C:21]3:[C:22]([N:23]([H:69])[H:70]):[N:24]:[C:25]([H:71]):[N:26]:[C:27]:2:3)([H:72])[C@@:28]([O:29][H:73])([H:74])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:75])[O:35][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([O:37][H:82])[H:97])=[O:39])[H:96])([H:94])[H:95])([H:92])[H:93])=[O:44])[H:91])([H:89])[H:90])([H:87])[H:88]