SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:38]([C@:5]([C:4]([C:2]([C:1]([H:97])([H:98])[H:99])([C:3]([H:51])([H:52])[H:53])[H:96])([H:94])[H:95])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]([H:57]):[C:16]:1[H:58])([H:59])[H:60])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:61])[H:62])([C:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]([O:35][H:65]):[C:36]([H:66]):[C:37]:1[H:67])([H:68])[H:69])[H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])[H:93])=[O:39])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H].[H][O:50][H:100]>>[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]([H:57]):[C:16]:1[H:58])([H:59])[H:60])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:61])[H:62])([C:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]([O:35][H:65]):[C:36]([H:66]):[C:37]:1[H:67])([H:68])[H:69])[H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])([C:38](=[O:39])[O:50][H:100])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1006 - Reaction Operator E
[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:19](-[H:38])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:38]
EVODEX.1-C577 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]>>[#6:12]-[#8:24]
EVODEX.1-N733 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]-[H:61]>>[#6:11]-[#6:12](=[#8:13])-[#8:24]-[H:61]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5710
[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]([H:57]):[C:16]:1[H:58])([H:59])[H:60])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:61])[H:62])([C:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]([O:35][H:65]):[C:36]([H:66]):[C:37]:1[H:67])([H:68])[H:69])[H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])([C:38](=[O:39])[N:40]([C@@:41]([C:42]([C:43]([C:44]([C:45]([N:46]([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([C:47](=[O:48])[O:49][H:90])[H:91])[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99].[H][O:50][H:100]>>[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]([H:57]):[C:16]:1[H:58])([H:59])[H:60])([N:17]([C:18](=[O:19])[C:20]([N:21]([C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[C@@:28]([N:29]([H:61])[H:62])([C:30]([C:31]1:[C:32]([H:63]):[C:33]([H:64]):[C:34]([O:35][H:65]):[C:36]([H:66]):[C:37]:1[H:67])([H:68])[H:69])[H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])([C:38](=[O:39])[O:50][H:100])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99].[H][N:40]([C@@:41]([C:42]([C:43]([C:44]([C:45]([N:46]([H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([C:47](=[O:48])[O:49][H:90])[H:91])[H:92]