SMIRKS
[H]OC([H])([H])[C@]([H])(N([H])[C:18]([C: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:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])[H:97])[H:96])([H:94])[H:95])[H:93])[H:92])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:19])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]>>[H]O[C:18]([C: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:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])[H:97])[H:96])([H:94])[H:95])[H:93])[H:92])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:19]
Derived Operators
EVODEX.1-F471 - Elemental Balance
| C | -18 |
| O | -1 |
| N | -1 |
| H | -35 |
EVODEX.1-M450 - Mass Difference
-281.27205
EVODEX.1-E1285 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6@](-[#8]-[H])(-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H]>>[#6:17]-[#6:18](=[#8:19])-[#8]-[H]
EVODEX.1-C694 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:18])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:18]
EVODEX.1-N858 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:18](-[#6:17])=[#8:19])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6333
[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]([C:17]([C:18](=[O:19])[N:20]([C@@:21]([C:22]([O:23][H:42])([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[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:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])([H:107])[H:108].[H][O:41][H:109]>>[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]([C:17]([C:18](=[O:19])[O:41][H:109])([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:92])[H:93])([H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])([H:107])[H:108].[H][N:20]([C@@:21]([C:22]([O:23][H:42])([H:43])[H:44])([C@:24]([O:25][H:45])([C:26](=[C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[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]