SMIRKS
[H]C([H])([H])C(=O)O[C:19]([C:18]([O:17][C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:89])([H:90])[H:91])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([C:20]([O:21][P:22](=[O:23])([O:24][H:37])[O:25][C:26]([C:27]([N+:28]([C:29]([H:38])([H:39])[H:40])([C:30]([H:41])([H:42])[H:43])[C:31]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:56].[H][O:36][H:92]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:17][C:18]([C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:37])[O:25][C:26]([C:27]([N+:28]([C:29]([H:38])([H:39])[H:40])([C:30]([H:41])([H:42])[H:43])[C:31]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([O:36][H:92])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([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:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])([H:90])[H:91]
Derived Operators
EVODEX.1-F301 - Elemental Balance
| O | -2 |
| C | -2 |
| H | -4 |
EVODEX.1-M87 - Mass Difference
-60.02112
EVODEX.1-E612 - Reaction Operator E
[#8](-[#6@@:19](-[#6@:15])(-[#6@:18])-[H:46])-[#6](-[#6](-[H])(-[H])-[H])=[#8].[#8:27](-[H:54])-[H]>>[#8:27](-[#6@@:19](-[#6@:15])(-[#6@:18])-[H:46])-[H:54]
EVODEX.1-C171 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11].[H]-[#8:28]>>[#8:28]-[#6@:11]
EVODEX.1-N1116 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44].[H]-[#8:28]-[H:51]>>[#8:28](-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44])-[H:51]
EVODEX.1-Em68 - Reaction Operator Em
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
EVODEX.1-Nm82 - Reaction Operator Nm
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
Source Full Reactions
EVODEX.1-R4881
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:17][C:18]([C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:37])[O:25][C:26]([C:27]([N+:28]([C:29]([H:38])([H:39])[H:40])([C:30]([H:41])([H:42])[H:43])[C:31]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([O:32][C:33]([C:34]([H:53])([H:54])[H:55])=[O:35])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([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:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])([H:90])[H:91].[H][O:36][H:92]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([O:17][C:18]([C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:37])[O:25][C:26]([C:27]([N+:28]([C:29]([H:38])([H:39])[H:40])([C:30]([H:41])([H:42])[H:43])[C:31]([H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([O:36][H:92])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([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:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])([H:90])[H:91].[H][O:32][C:33]([C:34]([H:53])([H:54])[H:55])=[O:35]