EVODEX.1-P3650

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@@:6]2([H:47])[C:7]([H:48])([H:49])[C@@:8]([O:9][H:50])([H:51])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:52])[O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][H:55])([H:56])[H:57])([H:58])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:59])[H:60].[H][O:33][C@:32]1([C:30](=[O:29])[O:31][H:61])[C:34]([H:63])([H:64])[C@:35]([O:36][H:65])([H:66])[C@:37]([O:38][H:67])([H:68])[C@:39]([C@:40]([O:41][H:69])([C:42]([O:43][H:70])([H:71])[H:72])[H:73])([H:74])[O:44]1>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@@:6]2([H:47])[C:7]([H:48])([H:49])[C@@:8]([O:9][H:50])([H:51])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:52])[O:33][C@:32]3([C:30](=[O:29])[O:31][H:61])[C:34]([H:63])([H:64])[C@:35]([O:36][H:65])([H:66])[C@:37]([O:38][H:67])([H:68])[C@:39]([C@:40]([O:41][H:69])([C:42]([O:43][H:70])([H:71])[H:72])[H:73])([H:74])[O:44]3)([H:56])[H:57])([H:58])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:59])[H:60].[H][O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][H:55]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E311 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]-[#15:15].[#6:31]-[#6@:33](-[#8:34]-[H])(-[#6:35])-[#8:47]>>[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:34]-[#6@@:33](-[#6:31])(-[#6:35])-[#8:47].[#8:14](-[#15:15])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N586 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:14]-[#15:15].[H]-[#8:34]-[#6@:33]>>[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:34]-[#6@:33].[H]-[#8:14]-[#15:15]

EVODEX.1-Em16 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm19 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]

Source Full Reactions

EVODEX.1-R4425

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@@:6]2([H:47])[C:7]([H:48])([H:49])[C@@:8]([O:9][H:50])([H:51])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:52])[O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][H:55])([H:56])[H:57])([H:58])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:59])[H:60].[H][O:33][C@:32]1([C:30](=[O:29])[O:31][H:61])[C:34]([H:63])([H:64])[C@:35]([O:36][H:65])([H:66])[C@:37]([O:38][H:67])([H:68])[C@:39]([C@:40]([O:41][H:69])([C:42]([O:43][H:70])([H:71])[H:72])[H:73])([H:74])[O:44]1>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@@:6]2([H:47])[C:7]([H:48])([H:49])[C@@:8]([O:9][H:50])([H:51])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:52])[O:33][C@:32]3([C:30](=[O:29])[O:31][H:61])[C:34]([H:63])([H:64])[C@:35]([O:36][H:65])([H:66])[C@:37]([O:38][H:67])([H:68])[C@:39]([C@:40]([O:41][H:69])([C:42]([O:43][H:70])([H:71])[H:72])[H:73])([H:74])[O:44]3)([H:56])[H:57])([H:58])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:59])[H:60].[H][O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][H:55]