SMIRKS
[N:22]([C:23]1:[N:24]:[C:25]([H:64]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:65]):[N:31]:2[C@:32]1([H:66])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:67])[O:40][P:41](=[O:42])([O:43][H:68])[O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70])([H:71])[H:72])([H:73])[C@:49]([O:50][H:74])([H:75])[C@:51]1([O:52][H:76])[H:77])([H:78])[H:79].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])([C:19](=[O:20])[O:21][H:87])[H:88])([H:89])[H:90]>>[H]OC(=O)[C@@]([H])(N([H])[C:19]([C@@:10]([N:9]([H:89])[H:90])([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])[H:88])=[O:20])C([H])(C([H])([H])[H])C([H])([H])[H].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:73])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:64]):[N:24]:[C:23]([N:22]([H:78])[H:79]):[C:28]:3:[N:29]:[C:30]:2[H:65])([H:66])[C@@:51]([O:52][H:76])([H:77])[C@@:49]1([O:50][H:74])[H:75])([H:71])[H:72])(=[O:38])[O:39][H:67])(=[O:42])[O:43][H:68])[H:87].[H][O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70]
Derived Operators
EVODEX.1-F146 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 11 |
EVODEX.1-M116 - Mass Difference
117.07903
EVODEX.1-E804 - 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: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]).[#8:75](-[#15:76])-[H]
EVODEX.1-C826 - 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])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].([#8:19]-[#15:39].[#6@@:49]-[#6@@:47]).[H]-[#8:42]
EVODEX.1-N1037 - Reaction Operator N
([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:73])-[#6@:49](-[#6@:30])(-[#8:50])-[H:75]).[#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].[#8:50]-[#6@:49](-[#6@:30])(-[H:75])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:73]).[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-R7822
[H][N:5]([C@@:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:53])([H:54])[H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[N:22]([C:23]1:[N:24]:[C:25]([H:64]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:65]):[N:31]:2[C@:32]1([H:66])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:67])[O:40][P:41](=[O:42])([O:43][H:68])[O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70])([H:71])[H:72])([H:73])[C@:49]([O:50][H:74])([H:75])[C@:51]1([O:52][H:76])[H:77])([H:78])[H:79].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])([C:19](=[O:20])[O:21][H:87])[H:88])([H:89])[H:90]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:89])[H:90])([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])[H:88])=[O:20])[H:56])([C:6](=[O:7])[O:8][H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:73])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:64]):[N:24]:[C:23]([N:22]([H:78])[H:79]):[C:28]:3:[N:29]:[C:30]:2[H:65])([H:66])[C@@:51]([O:52][H:76])([H:77])[C@@:49]1([O:50][H:74])[H:75])([H:71])[H:72])(=[O:38])[O:39][H:67])(=[O:42])[O:43][H:68])[H:87].[H][O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70]