SMIRKS
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])([C:19](=[O:20])[O:21][H:71])[H:72])([H:73])[H:74].[N:22]([C:23]1:[N:24]:[C:25]([H:75]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:76]):[N:31]:2[C@:32]1([H:77])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:78])[O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81])([H:82])[H:83])([H:84])[C@:49]([O:50][H:85])([H:86])[C@:51]1([O:52][H:87])[H:88])([H:89])[H:90]>>[H]OC(=O)[C@@]([H])(N([H])[C:19]([C@@:11]([N:10]([H:73])[H:74])([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])[H:72])=[O:20])C([H])([H])C([H])([H])SC([H])([H])[H].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:84])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:75]):[N:24]:[C:23]([N:22]([H:89])[H:90]):[C:28]:3:[N:29]:[C:30]:2[H:76])([H:77])[C@@:51]([O:52][H:87])([H:88])[C@@:49]1([O:50][H:85])[H:86])([H:82])[H:83])(=[O:38])[O:39][H:78])(=[O:42])[O:43][H:79])[H:71].[H][O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81]
Derived Operators
EVODEX.1-F174 - Elemental Balance
| O | 2 |
| C | 5 |
| S | 1 |
| N | 1 |
| H | 11 |
EVODEX.1-M265 - Mass Difference
149.05113
EVODEX.1-E844 - Reaction Operator E
[#6:17](-[#6@:15])(=[#8:18])-[#8:19]-[H:64].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:83])-[#6@:49](-[#6@:30])(-[#8:50])-[H:85])>>[#6](-[#16]-[#6](-[#6](-[#6@](-[#7](-[#6:17](-[#6@:15])=[#8:18])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].([#8:19](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:50]-[#6@:49](-[#6@:30])(-[H:85])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:83]).[#8:42](-[#15:43])-[H]
EVODEX.1-C839 - Reaction Operator C
[#6:15]-[#8:17].([#15:37]-[#8:40].[#6@:45]-[#6@:47])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:15])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].([#8:17]-[#15:37].[#6@@:47]-[#6@@:45]).[H]-[#8:40]
EVODEX.1-N1050 - Reaction Operator N
[#6:15](-[#6@:13])(=[#8:16])-[#8:17]-[H:52].([#8:36]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]-[#15:41].[#8:46]-[#6@@:45](-[#6@@:30])(-[H:80])-[#6@:47](-[#6@:28])(-[#8:48])-[H:82])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:15](-[#6@:13])=[#8:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H].([#8:17](-[#15:37](-[#8:36])(=[#8:38])-[#8:39])-[H:52].[#8:48]-[#6@:47](-[#6@:28])(-[H:82])-[#6@@:45](-[#6@@:30])(-[#8:46])-[H:80]).[H]-[#8:40]-[#15:41]
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-R7783
[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])([C:19](=[O:20])[O:21][H:71])[H:72])([H:73])[H:74].[N:22]([C:23]1:[N:24]:[C:25]([H:75]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:76]):[N:31]:2[C@:32]1([H:77])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:78])[O:40][P:41](=[O:42])([O:43][H:79])[O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81])([H:82])[H:83])([H:84])[C@:49]([O:50][H:85])([H:86])[C@:51]1([O:52][H:87])[H:88])([H:89])[H:90]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:19]([C@@:11]([N:10]([H:73])[H:74])([C:12]([C:13]1:[C:14]([H:64]):[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[C:18]:1[H:68])([H:69])[H:70])[H:72])=[O:20])[H:53])([C:7](=[O:8])[O:9][H:55])[H:56])([H:57])[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:84])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:75]):[N:24]:[C:23]([N:22]([H:89])[H:90]):[C:28]:3:[N:29]:[C:30]:2[H:76])([H:77])[C@@:51]([O:52][H:87])([H:88])[C@@:49]1([O:50][H:85])[H:86])([H:82])[H:83])(=[O:38])[O:39][H:78])(=[O:42])[O:43][H:79])[H:71].[H][O:44][P:45](=[O:46])([O:47][H:80])[O:48][H:81]