EVODEX.1-P5432 - Partial Reaction

SMIRKS

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)[N:20]([C@@:21]([C:22]([C:23]2:[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]([H:56]):[C:28]:2[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]2[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C@:35]2([C:36](=[O:37])[O:38][H:66])[H:67])[H:68])[H:69])N([H])[H]):C([H]):C:1[H]>>[H][N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]1[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C@:35]1([C:36](=[O:37])[O:38][H:66])[H:67])[H:68])[H:69]

Derived Operators

EVODEX.1-F473 - Elemental Balance

C	-14
N	-2
O	-3
H	-16

EVODEX.1-M452 - Mass Difference

-260.11618

EVODEX.1-E1287 - Reaction Operator E

[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7:20](-[#6@@:21])-[H:69])-[H])-[H])(-[H])-[H]>>[#7:20](-[#6@@:21])(-[H:69])-[H]

EVODEX.1-C601 - Reaction Operator C

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:20])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:20]

EVODEX.1-N758 - Reaction Operator N

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:20](-[#6@@:21])-[H:69])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:20](-[#6@@:21])-[H:69]

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-R6183

[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:40]):[C:6]([H:41]):[C:7]([O:8][H:42]):[C:9]([H:43]):[C:10]:1[H:44])([H:45])[H:46])([C:11](=[O:12])[N:13]1[C:14]([H:47])([H:48])[C:15]([H:49])([H:50])[C:16]([H:51])([H:52])[C@:17]1([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]1[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C@:35]1([C:36](=[O:37])[O:38][H:66])[H:67])[H:68])[H:69])[H:70])[H:71])([H:72])[H:73].[H][O:39][H:74]>>[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:40]):[C:6]([H:41]):[C:7]([O:8][H:42]):[C:9]([H:43]):[C:10]:1[H:44])([H:45])[H:46])([C:11](=[O:12])[N:13]1[C:14]([H:47])([H:48])[C:15]([H:49])([H:50])[C:16]([H:51])([H:52])[C@:17]1([C:18](=[O:19])[O:39][H:74])[H:70])[H:71])([H:72])[H:73].[H][N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]1[C:32]([H:60])([H:61])[C:33]([H:62])([H:63])[C:34]([H:64])([H:65])[C@:35]1([C:36](=[O:37])[O:38][H:66])[H:67])[H:68])[H:69]