SMIRKS
[H]OP(=O)(O[H])O[P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:69])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:60]):[N:20]:[C:19]([N:18]([H:74])[H:75]):[C:24]:3:[N:25]:[C:26]:2[H:61])([H:62])[C@@:47]([O:48][H:72])([H:73])[C@@:45]1([O:46][H:70])[H:71])([H:67])[H:68])(=[O:34])[O:35][H:63])(=[O:38])[O:39][H:64].[N:9]([C:10](=[O:11])[C:12]([C@:13]([N:14]([H:76])[H:77])([C:15](=[O:16])[O:17][H:78])[H:79])([H:80])[H:81])([H:82])[H:83]>>[H]OC(=O)[C@@]([H])(N([H])[C:15]([C@:13]([C:12]([C:10]([N:9]([H:82])[H:83])=[O:11])([H:80])[H:81])([N:14]([H:76])[H:77])[H:79])=[O:16])C([H])(C([H])([H])[H])C([H])([H])[H].[O:17]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:69])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:60]):[N:20]:[C:19]([N:18]([H:74])[H:75]):[C:24]:3:[N:25]:[C:26]:2[H:61])([H:62])[C@@:47]([O:48][H:72])([H:73])[C@@:45]1([O:46][H:70])[H:71])([H:67])[H:68])(=[O:34])[O:35][H:63])(=[O:38])[O:39][H:64])[H:78]
Derived Operators
EVODEX.1-F446 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 5 |
| N | 1 |
| H | 8 |
EVODEX.1-M429 - Mass Difference
19.10214
EVODEX.1-E1255 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].([#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:81]-[#6@@:80](-[#6@@:65])(-[H:137])-[#6@:82](-[#6@:63])(-[#8:83])-[H:139])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:72](-[#8:71])(=[#8:73])-[#8:74])-[H:108].[#8:83]-[#6@:82](-[#6@:63])(-[H:139])-[#6@@:80](-[#6@@:65])(-[#8:81])-[H:137])
EVODEX.1-C948 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39].[#6:17]-[#8:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[#8:19]-[#15:39]
EVODEX.1-N1185 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39](-[#8:38])(=[#8:40])-[#8:41].[#6:17](-[#6@@:10])(=[#8:18])-[#8:19]-[H:83]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:10])=[#8:18])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:83]
EVODEX.1-Em25 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Nm25 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7756
[H][N:5]([C@@:4]([C:2]([C:1]([H:57])([H:58])[H:59])([C:3]([H:49])([H:50])[H:51])[H:56])([C:6](=[O:7])[O:8][H:54])[H:55])[H:52].[N:18]([C:19]1:[N:20]:[C:21]([H:60]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:61]):[N:27]:2[C@:28]1([H:62])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:63])[O:36][P:37](=[O:38])([O:39][H:64])[O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66])([H:67])[H:68])([H:69])[C@:45]([O:46][H:70])([H:71])[C@:47]1([O:48][H:72])[H:73])([H:74])[H:75].[N:9]([C:10](=[O:11])[C:12]([C@:13]([N:14]([H:76])[H:77])([C:15](=[O:16])[O:17][H:78])[H:79])([H:80])[H:81])([H:82])[H:83]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])([C@:4]([N:5]([C:15]([C@:13]([C:12]([C:10]([N:9]([H:82])[H:83])=[O:11])([H:80])[H:81])([N:14]([H:76])[H:77])[H:79])=[O:16])[H:52])([C:6](=[O:7])[O:8][H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[O:17]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:69])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:60]):[N:20]:[C:19]([N:18]([H:74])[H:75]):[C:24]:3:[N:25]:[C:26]:2[H:61])([H:62])[C@@:47]([O:48][H:72])([H:73])[C@@:45]1([O:46][H:70])[H:71])([H:67])[H:68])(=[O:34])[O:35][H:63])(=[O:38])[O:39][H:64])[H:78].[H][O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66]