EVODEX.1-P3090

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:35])[N:3]([H:22])[H:23])[H:34])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([N:9]([H:24])[H:25])[C:10](=[O:11])[O:12][H:26].[O:13]=[C:14]([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40])[H:41]>>[H][C:14]([N:9]([H:24])[H:25])([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40])[H:41].[N:1](=[C:2]([N:3]([H:22])[H:23])[N:4]([C:5]([C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:26])=[O:13])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])[H:35]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N76 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10].[#8:13]=[#6:14](-[#6:15])-[H:38]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1](-[H:31])-[H:32])(-[#6:15])-[H:38]

EVODEX.1-Em551 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]=[#8:11].[#8:13]=[#6:14]-[#6:15]=[#8:16]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8:13].[H]-[#6:14](-[#7:1])-[#6:15]=[#8:16]

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-Nm140 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10].[#8:13]=[#6:14]-[#6:15]>>[#6:2](-[#6:3])(-[#6:10])=[#8:13].[H]-[#6:14](-[#7:1])-[#6:15]

Source Full Reactions

EVODEX.1-R3757

Full Reaction Rendering

[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:35])[N:3]([H:22])[H:23])[H:34])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([N:9]([H:24])[H:25])[C:10](=[O:11])[O:12][H:26].[O:13]=[C:14]([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40])[H:41]>>[H][C:14]([N:9]([H:24])[H:25])([C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[O:21][H:36])([H:37])[H:38])([H:39])[H:40])[H:41].[N:1](=[C:2]([N:3]([H:22])[H:23])[N:4]([C:5]([C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:26])=[O:13])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[H:34])[H:35]