EVODEX.1-P2474 - Partial Reaction

SMIRKS

[H][N:1]([C:2]1:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Cl:6]):[C:7]([H:48]):[C:8]:1[Cl:9])[H:49]>>[H]OC([H])([H])[C@@]1([H])OC([H])([N:1]([C:2]2:[C:3]([H:46]):[C:4]([H:47]):[C:5]([Cl:6]):[C:7]([H:48]):[C:8]:2[Cl:9])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O	5
C	6
H	10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E527 - Reaction Operator E

[#6:12]-[#7:13](-[H:51])-[H]>>[#6:12]-[#7:13](-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H:51]

EVODEX.1-C387 - Reaction Operator C

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

EVODEX.1-N463 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:52]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#7:1](-[#6:2])-[H:52])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em501 - Reaction Operator Em

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

EVODEX.1-Cm5 - Reaction Operator Cm

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

EVODEX.1-Nm452 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R3222

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