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EVODEX.1-P986

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:16])[H:17].[N:2](=[C:3]([N:4]([H:19])[H:20])[N:5]([C:6]([C:7]([C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])[H:29].[H][O:14][O:15][H]>>[H][C@:9]([N:1]([H:16])[H:17])([C:8]([C:7]([C:6]([N:5]([C:3](=[N:2][H:29])[N:4]([H:19])[H:20])[H:28])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])[C:11](=[O:12])[O:13][H:21].[O:14]=[O:15].[H][O:10][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E262 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[H:11])(-[H:12])-[H].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7:1](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H:11])-[H:12].[#8:9]=[#8:10].[#8:6](-[H])-[H]

EVODEX.1-C103 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1].[#8:2]=[#6:3].[H]-[#8:11]-[#8:12]-[H]>>[H]-[#6:3]-[#7:1].[#8:11]=[#8:12].[H]-[#8:2]-[H]

EVODEX.1-N231 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[H:19])-[H:20].[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6@@:5](-[#7:1](-[H:19])-[H:20])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Em346 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3]=[#8:2])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Cm128 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:1].[#8:2]=[#6:3].[H]-[#8:11]-[#8:12]-[H]>>[H]-[#6:3]-[#7:1].[#8:11]=[#8:12].[H]-[#8:2]-[H]

EVODEX.1-Nm313 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1].[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R962

Full Reaction Rendering

[H][N:1]([H:16])[H:17].[N:2](=[C:3]([N:4]([H:19])[H:20])[N:5]([C:6]([C:7]([C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])[H:29].[H][O:14][O:15][H]>>[H][C@:9]([N:1]([H:16])[H:17])([C:8]([C:7]([C:6]([N:5]([C:3](=[N:2][H:29])[N:4]([H:19])[H:20])[H:28])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])[C:11](=[O:12])[O:13][H:21].[O:14]=[O:15].[H][O:10][H]