SMIRKS
[H]OP(=O)(O[H])O[P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:66])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:57]):[N:17]:[C:16]([N:15]([H:71])[H:72]):[C:21]:3:[N:22]:[C:23]:2[H:58])([H:59])[C@@:44]([O:45][H:69])([H:70])[C@@:42]1([O:43][H:67])[H:68])([H:64])[H:65])(=[O:31])[O:32][H:60])(=[O:35])[O:36][H:61].[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79]>>[H]OC(=O)[C@@]([H])(N([H])[C:12]([C:11]([C:10]([N:9]([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])=[O:13])C([H])(C([H])([H])[H])C([H])([H])[H].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:66])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:57]):[N:17]:[C:16]([N:15]([H:71])[H:72]):[C:21]:3:[N:22]:[C:23]:2[H:58])([H:59])[C@@:44]([O:45][H:69])([H:70])[C@@:42]1([O:43][H:67])[H:68])([H:64])[H:65])(=[O:31])[O:32][H:60])(=[O:35])[O:36][H:61])[H:73]
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-R7823
[H][N:5]([C@@:4]([C:2]([C:1]([H:54])([H:55])[H:56])([C:3]([H:46])([H:47])[H:48])[H:53])([C:6](=[O:7])[O:8][H:51])[H:52])[H:49].[N:15]([C:16]1:[N:17]:[C:18]([H:57]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:58]):[N:24]:2[C@:25]1([H:59])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:60])[O:33][P:34](=[O:35])([O:36][H:61])[O:37][P:38](=[O:39])([O:40][H:62])[O:41][H:63])([H:64])[H:65])([H:66])[C@:42]([O:43][H:67])([H:68])[C@:44]1([O:45][H:69])[H:70])([H:71])[H:72].[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C@:4]([N:5]([C:12]([C:11]([C:10]([N:9]([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])=[O:13])[H:49])([C:6](=[O:7])[O:8][H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:66])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:57]):[N:17]:[C:16]([N:15]([H:71])[H:72]):[C:21]:3:[N:22]:[C:23]:2[H:58])([H:59])[C@@:44]([O:45][H:69])([H:70])[C@@:42]1([O:43][H:67])[H:68])([H:64])[H:65])(=[O:31])[O:32][H:60])(=[O:35])[O:36][H:61])[H:73].[H][O:37][P:38](=[O:39])([O:40][H:62])[O:41][H:63]