SMIRKS
[N:12]([C:13]1:[N:14]:[C:15]([H:50]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:51]):[N:21]:2[C@:22]1([H:52])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:53])[O:30][P:31](=[O:32])([O:33][H:54])[O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56])([H:57])[H:58])([H:59])[C@:39]([O:40][H:60])([H:61])[C@:41]1([O:42][H:62])[H:63])([H:64])[H:65].[N:7]([C:8]([C:9](=[O:10])[O:11][H:66])([H:67])[H:68])([H:69])[H:70]>>[H]OC(=O)[C@]([H])(N([H])[C:9]([C:8]([N:7]([H:69])[H:70])([H:67])[H:68])=[O:10])C([H])([H])[H].[O:11]([P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:59])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:50]):[N:14]:[C:13]([N:12]([H:64])[H:65]):[C:18]:3:[N:19]:[C:20]:2[H:51])([H:52])[C@@:41]([O:42][H:62])([H:63])[C@@:39]1([O:40][H:60])[H:61])([H:57])[H:58])(=[O:28])[O:29][H:53])(=[O:32])[O:33][H:54])[H:66].[H][O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E808 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].([#8:69]-[#15:70](=[#8:71])(-[#8:72])-[#8:73]-[#15:74].[#8:79]-[#6@@:78](-[#6@@:63])(-[H:133])-[#6@:80](-[#6@:61])(-[#8:81])-[H:135])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:70](-[#8:69])(=[#8:71])-[#8:72])-[H:108].[#8:81]-[#6@:80](-[#6@:61])(-[H:135])-[#6@@:78](-[#6@@:63])(-[#8:79])-[H:133]).[#8:73](-[#15:74])-[H]
EVODEX.1-C941 - Reaction Operator C
([#15:39]-[#8:42].[#6@:47]-[#6@:49]).[#6:17]-[#8:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[H])-[H].([#8:19]-[#15:39].[#6@@:49]-[#6@@:47]).[H]-[#8:42]
EVODEX.1-N1178 - Reaction Operator N
([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:69])-[#6@:49](-[#6@:30])(-[#8:50])-[H:71]).[#6:17](-[#6@@:8])(=[#8:18])-[#8:19]-[H:81]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:8])=[#8:18])-[#6](-[H])(-[H])-[H].([#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:81].[#8:50]-[#6@:49](-[#6@:30])(-[H:71])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:69]).[H]-[#8:42]-[#15:43]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7730
[H][N:3]([C@:2]([C:1]([H:47])([H:48])[H:49])([C:4](=[O:5])[O:6][H:45])[H:46])[H:43].[N:12]([C:13]1:[N:14]:[C:15]([H:50]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:51]):[N:21]:2[C@:22]1([H:52])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:53])[O:30][P:31](=[O:32])([O:33][H:54])[O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56])([H:57])[H:58])([H:59])[C@:39]([O:40][H:60])([H:61])[C@:41]1([O:42][H:62])[H:63])([H:64])[H:65].[N:7]([C:8]([C:9](=[O:10])[O:11][H:66])([H:67])[H:68])([H:69])[H:70]>>[C:1]([C@@:2]([N:3]([C:9]([C:8]([N:7]([H:69])[H:70])([H:67])[H:68])=[O:10])[H:43])([C:4](=[O:5])[O:6][H:45])[H:46])([H:47])([H:48])[H:49].[O:11]([P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:59])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:50]):[N:14]:[C:13]([N:12]([H:64])[H:65]):[C:18]:3:[N:19]:[C:20]:2[H:51])([H:52])[C@@:41]([O:42][H:62])([H:63])[C@@:39]1([O:40][H:60])[H:61])([H:57])[H:58])(=[O:28])[O:29][H:53])(=[O:32])[O:33][H:54])[H:66].[H][O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56]