EVODEX.1-P7114 - Partial Reaction

SMIRKS

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])[H:56].[H]OP(=O)(O[H])O[P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:82])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:73]):[N:24]([H:72]):[C:23](=[O:22]):[C:28]:3:[N:29]:[C:30]:2[H:74])([H:75])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:38])[O:39][H:76])(=[O:42])[O:43][H:77]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])[H:56])C([H])([H])S[H].[H]O[P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:82])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:73]):[N:24]([H:72]):[C:23](=[O:22]):[C:28]:3:[N:29]:[C:30]:2[H:74])([H:75])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:38])[O:39][H:76])(=[O:42])[O:43][H:77]

Derived Operators

EVODEX.1-F569 - Elemental Balance

P	-1
O	1
C	8
S	1
N	2
H	11

EVODEX.1-M537 - Mass Difference

152.08553

EVODEX.1-E1392 - Reaction Operator E

[#7:1](-[#6:2])(-[H:56])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:84])-[#6@:51](-[#6@:32])(-[#8:52])-[H:86])>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H])(-[#6](-[#16]-[H])(-[H])-[H])-[H])=[#8])-[H:56].([#8]-[H].[#8:52]-[#6@:51](-[#6@:32])(-[H:86])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:84])

EVODEX.1-C811 - Reaction Operator C

[H]-[#7:1].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:1])-[#6](-[H])(-[H])-[#16]-[H].[H]-[#8]

EVODEX.1-N1022 - Reaction Operator N

[H]-[#7:1](-[#6:2])-[H:56].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:56])-[#6](-[H])(-[H])-[#16]-[H].[H]-[#8]

EVODEX.1-Em4 - Reaction Operator Em

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

EVODEX.1-Cm5 - Reaction Operator Cm

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

EVODEX.1-Nm4 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R7703

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])[H:56].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@@:13]([C:14]([S:15][H:58])([H:59])[H:60])([C:16](=[O:17])[O:18][H:61])[H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([C:19](=[O:20])[O:21][H:68])[H:69])([H:70])[H:71].[O:22]=[C:23]1:[N:24]([H:72]):[C:25]([H:73]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:74]):[N:31]:2[C@:32]1([H:75])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:76])[O:40][P:41](=[O:42])([O:43][H:77])[O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79])([H:80])[H:81])([H:82])[C@:49]([O:50][H:83])([H:84])[C@:51]1([O:52][H:85])[H:86]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:53])([H:54])[H:55])([C:16]([C@@:13]([N:12]([C:10]([C:9]([C:8]([C@:7]([N:6]([H:70])[H:71])([C:19](=[O:20])[O:21][H:68])[H:69])([H:66])[H:67])([H:64])[H:65])=[O:11])[H:63])([C:14]([S:15][H:58])([H:59])[H:60])[H:62])=[O:17])[H:56].[O:18]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:82])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:73]):[N:24]([H:72]):[C:23](=[O:22]):[C:28]:3:[N:29]:[C:30]:2[H:74])([H:75])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:38])[O:39][H:76])(=[O:42])[O:43][H:77])[H:61].[H][O:44][P:45](=[O:46])([O:47][H:78])[O:48][H:79]