SMIRKS
[N:16]([C:17]1:[N:18]:[C:19]([H:56]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:57]):[N:25]:2[C@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:59])[O:34][P:35](=[O:36])([O:37][H:60])[O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])([H:63])[H:64])([H:65])[C@:43]([O:44][H:66])([H:67])[C@:45]1([O:46][H:68])[H:69])([H:70])[H:71].[N:9]([C@@:10]([C:11]([S:12][H:72])([H:73])[H:74])([C:13](=[O:14])[O:15][H:75])[H:76])([H:77])[H:78]>>[H]OC(=O)[C@@]([H])(N([H])[C:13]([C@@:10]([N:9]([H:77])[H:78])([C:11]([S:12][H:72])([H:73])[H:74])[H:76])=[O:14])[C@]([H])(O[H])C([H])([H])[H].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:65])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:56]):[N:18]:[C:17]([N:16]([H:70])[H:71]):[C:22]:3:[N:23]:[C:24]:2[H:57])([H:58])[C@@:45]([O:46][H:68])([H:69])[C@@:43]1([O:44][H:66])[H:67])([H:63])[H:64])(=[O:32])[O:33][H:59])(=[O:36])[O:37][H:60])[H:75].[H][O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62]
Derived Operators
EVODEX.1-F204 - Elemental Balance
| O | 3 |
| C | 4 |
| N | 1 |
| H | 9 |
EVODEX.1-M278 - Mass Difference
119.05827
EVODEX.1-E907 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108].([#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76].[#8:81]-[#6@@:80](-[#6@@:65])(-[H:135])-[#6@:82](-[#6@:63])(-[#8:83])-[H:137])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#8]-[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:137])-[#6@@:80](-[#6@@:65])(-[#8:81])-[H:135]).[#8:75](-[#15:76])-[H]
EVODEX.1-C945 - Reaction Operator C
([#15:35]-[#8:38].[#6@:43]-[#6@:45]).[#6:13]-[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:13])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H].([#8:15]-[#15:35].[#6@@:45]-[#6@@:43]).[H]-[#8:38]
EVODEX.1-N1182 - Reaction Operator N
([#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]-[#15:39].[#8:44]-[#6@@:43](-[#6@@:28])(-[H:67])-[#6@:45](-[#6@:26])(-[#8:46])-[H:69]).[#6:13](-[#6@@:10])(=[#8:14])-[#8:15]-[H:75]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:13](-[#6@@:10])=[#8:14])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H].([#8:15](-[#15:35](-[#8:34])(=[#8:36])-[#8:37])-[H:75].[#8:46]-[#6@:45](-[#6@:26])(-[H:69])-[#6@@:43](-[#6@@:28])(-[#8:44])-[H:67]).[H]-[#8:38]-[#15:39]
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-R7835
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:53])([H:54])[H:55])([O:3][H:47])[H:52])([C:6](=[O:7])[O:8][H:50])[H:51])[H:48].[N:16]([C:17]1:[N:18]:[C:19]([H:56]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:57]):[N:25]:2[C@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:59])[O:34][P:35](=[O:36])([O:37][H:60])[O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62])([H:63])[H:64])([H:65])[C@:43]([O:44][H:66])([H:67])[C@:45]1([O:46][H:68])[H:69])([H:70])[H:71].[N:9]([C@@:10]([C:11]([S:12][H:72])([H:73])[H:74])([C:13](=[O:14])[O:15][H:75])[H:76])([H:77])[H:78]>>[C:1]([C@@:2]([O:3][H:47])([C@:4]([N:5]([C:13]([C@@:10]([N:9]([H:77])[H:78])([C:11]([S:12][H:72])([H:73])[H:74])[H:76])=[O:14])[H:48])([C:6](=[O:7])[O:8][H:50])[H:51])[H:52])([H:53])([H:54])[H:55].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:65])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:56]):[N:18]:[C:17]([N:16]([H:70])[H:71]):[C:22]:3:[N:23]:[C:24]:2[H:57])([H:58])[C@@:45]([O:46][H:68])([H:69])[C@@:43]1([O:44][H:66])[H:67])([H:63])[H:64])(=[O:32])[O:33][H:59])(=[O:36])[O:37][H:60])[H:75].[H][O:38][P:39](=[O:40])([O:41][H:61])[O:42][H:62]