EVODEX.1-P4600 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:23])([H:24])[H:25])[H:40])([H:38])[H:39])([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])[H:36])[H:37])[H:32])N([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:23])([H:24])[H:25])[H:40])([H:38])[H:39])([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])[H:36])[H:37])[H:32]

Derived Operators

EVODEX.1-F220 - Elemental Balance

O	-3
C	-4
N	-1
H	-5

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E929 - Reaction Operator E

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6:10])-[H:62])-[H])(-[H])-[H]>>[#7:9](-[#6:10])(-[H:62])-[H]

EVODEX.1-C558 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18])-[#7](-[H])-[H]>>[H]-[#7:18]

EVODEX.1-N711 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18](-[#6@:13])-[H:49])-[#7](-[H])-[H]>>[H]-[#7:18](-[#6@:13])-[H:49]

EVODEX.1-Em1 - Reaction Operator Em

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5428

[C:1]([C:2]([C:3]([H:23])([H:24])[H:25])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:26])[H:27])([C:11]([C:12](=[O:13])[O:14][H:28])([H:29])[H:30])[H:31])[H:32])([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])[H:36])[H:37])([H:38])[H:39])[H:40])([H:41])([H:42])[H:43].[H][O:22][H:44]>>[C:7](=[O:8])([C@@:9]([N:10]([H:26])[H:27])([C:11]([C:12](=[O:13])[O:14][H:28])([H:29])[H:30])[H:31])[O:22][H:44].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:23])([H:24])[H:25])[H:40])([H:38])[H:39])([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:33])([H:34])[H:35])[H:36])[H:37])[H:32]