EVODEX.1-P889 - Partial Reaction

SMIRKS

[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:2]([C:1]([H:63])([H:64])[H:65])[H:62]>>[H][N:2]([C:1]([H:63])([H:64])[H:65])[H:62]

Derived Operators

EVODEX.1-F96 - Elemental Balance

O	-2
C	-3
H	-4

EVODEX.1-M228 - Mass Difference

-72.02112

EVODEX.1-E681 - Reaction Operator E

[#6](-[#6](-[#7:3](-[#6:4])-[H:60])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#7:3](-[#6:4])(-[H:60])-[H]

EVODEX.1-C242 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3]>>[H]-[#7:3]

EVODEX.1-N228 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3](-[#6:4])-[H:60]>>[H]-[#7:3](-[#6:4])-[H:60]

EVODEX.1-Em83 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm112 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R870

[H][C@:3]([N:2]([C:1]([H:63])([H:64])[H:65])[H:62])([C:4]([H:57])([H:58])[H:59])[C:5](=[O:6])[O:7][H:60].[N:8]([C:9](=[O:10])[C:11]1:[C:12]([H:66]):[C:13]([H:67]):[C:14]([H:68]):[N+:15]([C@:16]2([H:69])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:70])[O:24][P:25](=[O:26])([O:27][H:71])[O:28][C:29]([C@@:30]3([H:72])[O:31][C@:32]([N:33]4:[C:34]([H:73]):[N:35]:[C:36]5:[C:37]([N:38]([H:74])[H:75]):[N:39]:[C:40]([H:76]):[N:41]:[C:42]:4:5)([H:77])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79])([H:80])[C@@:49]3([O:50][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:51]([O:52][H:88])([H:89])[C@:53]2([O:54][H:90])[H:91]):[C:55]:1[H:92])([H:93])[H:94].[H][O:56][H]>>[C:3]([C:4]([H:57])([H:58])[H:59])([C:5](=[O:6])[O:7][H:60])=[O:56].[H][N:2]([C:1]([H:63])([H:64])[H:65])[H:62].[HH].[H][C:12]1([H:66])[C:11]([C:9]([N:8]([H:93])[H:94])=[O:10])=[C:55]([H:92])[N:15]([C@:16]2([H:69])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:70])[O:24][P:25](=[O:26])([O:27][H:71])[O:28][C:29]([C@@:30]3([H:72])[O:31][C@:32]([N:33]4:[C:34]([H:73]):[N:35]:[C:36]5:[C:37]([N:38]([H:74])[H:75]):[N:39]:[C:40]([H:76]):[N:41]:[C:42]:4:5)([H:77])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79])([H:80])[C@@:49]3([O:50][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:51]([O:52][H:88])([H:89])[C@:53]2([O:54][H:90])[H:91])[C:14]([H:68])=[C:13]1[H:67]

EVODEX.1-R947

[H][C@@:3]([N:2]([C:1]([H:17])([H:18])[H:19])[H:16])([C:4]([H:11])([H:12])[H:13])[C:5](=[O:6])[O:7][H:14].[O:9]=[O:10].[H][O:8][H]>>[C:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[O:7][H:14])=[O:8].[H][N:2]([C:1]([H:17])([H:18])[H:19])[H:16].[H][O:9][O:10][H]