EVODEX.1-P3223

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:14]([N:13]([H:37])[H:38])([C:15]([O:16][P:17](=[O:18])([O:19][H:27])[O:20][H:28])([H:29])[H:30])[C:21]([C:22]1:[C:23]([H:31]):[N:24]([H:32]):[C:25]([H:33]):[N:26]:1)([H:34])[H:35].[N:1](=[C:2]([N:3]([H:39])[H:40])[N:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49]>>[H][C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:49])[N:3]([H:39])[H:40])[H:48])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([C:10](=[O:11])[O:12][H:41])[N:13]([H:37])[H:38].[O:9]=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:27])[O:20][H:28])([H:29])[H:30])[C:21]([C:22]1:[C:23]([H:31]):[N:24]([H:32]):[C:25]([H:33]):[N:26]:1)([H:34])[H:35]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E273 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:40](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H:70])-[H:71].[#6:45]-[#6:46](=[#8:47])-[#6:48]=[#8:49]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8:47].[#7:40](-[#6@@:46](-[#6:45])(-[#6:48]=[#8:49])-[H])(-[H:70])-[H:71]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N20 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Em544 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]=[#8:11]>>[H]-[#6:8](-[#6:7])(-[#6:10]=[#8:11])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm75 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

Source Full Reactions

EVODEX.1-R3857

Full Reaction Rendering

[H][C@@:14]([N:13]([H:37])[H:38])([C:15]([O:16][P:17](=[O:18])([O:19][H:27])[O:20][H:28])([H:29])[H:30])[C:21]([C:22]1:[C:23]([H:31]):[N:24]([H:32]):[C:25]([H:33]):[N:26]:1)([H:34])[H:35].[N:1](=[C:2]([N:3]([H:39])[H:40])[N:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49]>>[H][C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:49])[N:3]([H:39])[H:40])[H:48])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([C:10](=[O:11])[O:12][H:41])[N:13]([H:37])[H:38].[O:9]=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:27])[O:20][H:28])([H:29])[H:30])[C:21]([C:22]1:[C:23]([H:31]):[N:24]([H:32]):[C:25]([H:33]):[N:26]:1)([H:34])[H:35]