EVODEX.1-P5757 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:21])([H:22])[H:23])[H:34])([C:17](=[O:18])[O:19][H:32])[H:33])[H:31]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:21])([H:22])[H:23])[H:34])([C:17](=[O:18])[O:19][H:32])[H:33])[H:31]

Derived Operators

EVODEX.1-F75 - Elemental Balance

O	-2
C	-8
H	-6

EVODEX.1-M218 - Mass Difference

-134.03678

EVODEX.1-E642 - Reaction Operator E

[#8]=[#6](-[#7:4](-[#6@@:5])-[H:34])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#7:4](-[#6@@:5])(-[H:34])-[H]

EVODEX.1-C619 - Reaction Operator C

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7:6]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:6]

EVODEX.1-N774 - Reaction Operator N

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:31]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:6](-[#6@@:5])-[H:31]

EVODEX.1-Em128 - Reaction Operator Em

[#8]-[#6](=[#8])-[#7:6]-[#6:5]>>[H]-[#7:6]-[#6:5]

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm162 - Reaction Operator Nm

[#8]-[#6](=[#8])-[#7:6]-[#6:5]>>[H]-[#7:6]-[#6:5]

Source Full Reactions

EVODEX.1-R6455

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