EVODEX.1-P5641 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C(=O)[N:4]([C:5]([C:6]([C:7]2:[C:8]([H:25]):[N:9]([H:26]):[C:10]3:[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]:2:3)([H:31])[H:32])([C:16](=[O:17])[O:18][H:33])[H:34])[H:35]):C([H]):C:1[H]>>[H][N:4]([C:5]([C:6]([C:7]1:[C:8]([H:25]):[N:9]([H:26]):[C:10]2:[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]:1:2)([H:31])[H:32])([C:16](=[O:17])[O:18][H:33])[H:34])[H:35]

Derived Operators

EVODEX.1-F225 - Elemental Balance

O	-1
C	-7
H	-4

EVODEX.1-M288 - Mass Difference

-104.02622

EVODEX.1-E942 - Reaction Operator E

[#6:8]-[#7:9](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H:26]>>[#6:8]-[#7:9](-[H:26])-[H]

EVODEX.1-C612 - Reaction Operator C

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

EVODEX.1-N767 - Reaction Operator N

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7:4](-[#6:5])-[H:35]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:4](-[#6:5])-[H:35]

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-R6365

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