EVODEX.1-P6361

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:14][C@@:13]([C@:11]([C:10]1=[N:9][C:5]2:[C:4](:[N:3]([H:31]):[C:2](=[N:1][H:46]):[N:8]([H:32]):[C:6]:2=[O:7])[N:30]([H:45])[C:29]1([H:43])[H:44])([O:12][H:33])[H:42])([C:15]([O:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][P:25](=[O:26])([O:27][H:37])[O:28][H:38])([H:39])[H:40])[H:41]>>[C:13](=[O:14])([C:15]([O:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][P:25](=[O:26])([O:27][H:37])[O:28][H:38])([H:39])[H:40])[H:41].[H][C:11]([C:10]1=[N:9][C:5]2:[C:4](:[N:3]([H:31]):[C:2](=[N:1][H:46]):[N:8]([H:32]):[C:6]:2=[O:7])[N:30]([H:45])[C:29]1([H:43])[H:44])([O:12][H:33])[H:42]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E172 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@:6](-[#8:7])(-[#6:8])-[H:22])-[H:23]>>[#6:6](-[#8:7])(-[#6:8])(-[H:22])-[H].[#6:3]-[#6:4](=[#8:5])-[H:23]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N928 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:14]-[#6@@:13](-[#6@:11](-[#6:10])(-[#8:12])-[H:42])(-[#6:15])-[H:41]>>[#6:13](=[#8:14])(-[#6:15])-[H:41].[H]-[#6:11](-[#6:10])(-[#8:12])-[H:42]

EVODEX.1-Em736 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm665 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6960

Full Reaction Rendering

[H][O:14][C@@:13]([C@:11]([C:10]1=[N:9][C:5]2:[C:4](:[N:3]([H:31]):[C:2](=[N:1][H:46]):[N:8]([H:32]):[C:6]:2=[O:7])[N:30]([H:45])[C:29]1([H:43])[H:44])([O:12][H:33])[H:42])([C:15]([O:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][P:25](=[O:26])([O:27][H:37])[O:28][H:38])([H:39])[H:40])[H:41]>>[C:13](=[O:14])([C:15]([O:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][P:25](=[O:26])([O:27][H:37])[O:28][H:38])([H:39])[H:40])[H:41].[H][C:11]([C:10]1=[N:9][C:5]2:[C:4](:[N:3]([H:31]):[C:2](=[N:1][H:46]):[N:8]([H:32]):[C:6]:2=[O:7])[N:30]([H:45])[C:29]1([H:43])[H:44])([O:12][H:33])[H:42]