EVODEX.1-P127

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E99 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#6:13](-[#8:14]-[H])(-[H:25])-[H].[#8:17]=[#8:18]>>[#6:12]-[#6:13](=[#8:14])-[H:25].[#8:17](-[#8:18]-[H])-[H]

EVODEX.1-C1182 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:18]-[#8:19]-[H].[#6@:15]).[#8:27]=[#8:28]>>([#6:18]=[#8:19].[#6@@:15]).[H]-[#8:27]-[#8:28]-[H]

EVODEX.1-N1465 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:18](-[#6@:17]-[#6@:15](-[#8:16])(-[H:35])-[#6:14])(-[#8:19]-[H])-[H:37].[#8:27]=[#8:28]>>[#6:14]-[#6@@:15](-[#8:16])(-[H:35])-[#6@:17]-[#6:18](=[#8:19])-[H:37].[H]-[#8:27]-[#8:28]-[H]

EVODEX.1-Em178 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#8:2].[H]-[#6:19](-[#6:18])-[#8:20]-[H]>>[H]-[#8:1]-[#8:2]-[H].[#6:18]-[#6:19]=[#8:20]

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Nm94 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])-[#6:5]>>[#8:3]=[#6:4]-[#6:5].[H]-[#8:1]-[#8:2]-[H]

Source Full Reactions

EVODEX.1-R167

Full Reaction Rendering

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