SMIRKS
[O:2]([C:3]([C@@:4]1([H:49])[O:5][C@:6]([O:7][C@@:8]2([H:50])[C@@:9]([O:10][H:51])([H:52])[C@:11]([O:12][H:53])([H:54])[C@@:13]([O:14][C@@:15]3([H:55])[C@@:16]([O:17][H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]([O:21][C@@:22]4([H:60])[C@@:23]([O:24][H:61])([H:62])[C@:25]([C:26]([O:27][H:63])([H:64])[H:65])([H:66])[O:28][C:29]([O:30][H:67])([H:68])[C@@:31]4([O:32][H:69])[H:70])([H:71])[O:33][C@@:34]3([C:35]([O:36][H:72])([H:73])[H:74])[H:75])([H:76])[O:37][C@@:38]2([C:39]([O:40][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:41]([O:42][H:82])([H:83])[C@:43]([O:44][H:84])([H:85])[C@@:45]1([O:46][H:86])[H:87])([H:88])[H:89])[H:90]>>[H][O:14][C@@:15]1([H:55])[C@@:16]([O:17][H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]([O:21][C@@:22]2([H:60])[C@@:23]([O:24][H:61])([H:62])[C@:25]([C:26]([O:27][H:63])([H:64])[H:65])([H:66])[O:28][C:29]([O:30][H:67])([H:68])[C@@:31]2([O:32][H:69])[H:70])([H:71])[O:33][C@@:34]1([C:35]([O:36][H:72])([H:73])[H:74])[H:75].[H]O[C:13]1([H:76])[C@@:11]([O:12][H:53])([H:54])[C@:9]([O:10][H:51])([H:52])[C@@:8]([O:7][C@:6]2([H:81])[O:5][C@@:4]([C:3]([O:2][H:90])([H:88])[H:89])([H:49])[C@:45]([O:46][H:86])([H:87])[C@@:43]([O:44][H:84])([H:85])[C@:41]2([O:42][H:82])[H:83])([H:50])[C@:38]([C:39]([O:40][H:77])([H:78])[H:79])([H:80])[O:37]1
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E338 - Reaction Operator E
([#8:10]-[#6@:9]1(-[#6@@:8]-[#6@:24](-[#8:23]-[#6@:13](-[#6@@:11]-1(-[#8:12])-[H:40])(-[#8:14]-[#6:15])-[H:50])(-[#6:25])-[H:54])-[H:38].[#8:28]-[#6@:27](-[#6@:6])(-[H:57])-[#6@:29](-[#8:30])(-[H:59])-[#6@@:31](-[#6@@:4])(-[#8:32])-[H:61])>>[#8:14](-[#6:15])-[H].([#8](-[#6@@:13]1(-[H:50])-[#6@@:11](-[#8:12])(-[H:40])-[#6@:9](-[#8:10])(-[H:38])-[#6@@:8]-[#6@:24](-[#6:25])(-[H:54])-[#8:23]-1)-[H].[#8:32]-[#6@@:31](-[#6@@:4])(-[H:61])-[#6@@:29](-[#8:30])(-[H:59])-[#6@:27](-[#6@:6])(-[#8:28])-[H:57])
EVODEX.1-C524 - Reaction Operator C
([#8:14]-[#6@:13]-[#6@:11]-[#6@@:9].[#6@@:82].[#6@@:85]-[#6@:87]-[#6@@:89])>>[H]-[#8:14].([H]-[#8]-[#6@@:13]-[#6@@:11]-[#6@:9].[#6@:89]-[#6@@:87]-[#6@:85].[#6@:82])
EVODEX.1-N667 - Reaction Operator N
([#8:10]-[#6@:9]1(-[#6@@:8]-[#6@:82](-[#8:81]-[#6@@:13](-[#6@@:11]-1(-[#8:12])-[H:98])(-[#8:14]-[#6@@:15])-[H:160])(-[#6:83])-[H:164])-[H:96].[#8:86]-[#6@:85](-[#6@@:6])(-[H:167])-[#6@:87](-[#8:88])(-[H:169])-[#6@@:89](-[#6@@:4])(-[#8:90])-[H:171])>>[H]-[#8:14]-[#6@@:15].([H]-[#8]-[#6@@:13]1(-[H:160])-[#6@@:11](-[#8:12])(-[H:98])-[#6@:9](-[#8:10])(-[H:96])-[#6@@:8]-[#6@:82](-[#6:83])(-[H:164])-[#8:81]-1.[#8:90]-[#6@@:89](-[#6@@:4])(-[H:171])-[#6@@:87](-[#8:88])(-[H:169])-[#6@:85](-[#6@@:6])(-[#8:86])-[H:167])
EVODEX.1-Em39 - Reaction Operator Em
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
EVODEX.1-Nm43 - Reaction Operator Nm
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R5214
[H][O:1][H:47].[O:2]([C:3]([C@@:4]1([H:49])[O:5][C@:6]([O:7][C@@:8]2([H:50])[C@@:9]([O:10][H:51])([H:52])[C@:11]([O:12][H:53])([H:54])[C@@:13]([O:14][C@@:15]3([H:55])[C@@:16]([O:17][H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]([O:21][C@@:22]4([H:60])[C@@:23]([O:24][H:61])([H:62])[C@:25]([C:26]([O:27][H:63])([H:64])[H:65])([H:66])[O:28][C:29]([O:30][H:67])([H:68])[C@@:31]4([O:32][H:69])[H:70])([H:71])[O:33][C@@:34]3([C:35]([O:36][H:72])([H:73])[H:74])[H:75])([H:76])[O:37][C@@:38]2([C:39]([O:40][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:41]([O:42][H:82])([H:83])[C@:43]([O:44][H:84])([H:85])[C@@:45]1([O:46][H:86])[H:87])([H:88])[H:89])[H:90]>>[H][O:14][C@@:15]1([H:55])[C@@:16]([O:17][H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]([O:21][C@@:22]2([H:60])[C@@:23]([O:24][H:61])([H:62])[C@:25]([C:26]([O:27][H:63])([H:64])[H:65])([H:66])[O:28][C:29]([O:30][H:67])([H:68])[C@@:31]2([O:32][H:69])[H:70])([H:71])[O:33][C@@:34]1([C:35]([O:36][H:72])([H:73])[H:74])[H:75].[O:1]([C:13]1([H:76])[C@@:11]([O:12][H:53])([H:54])[C@:9]([O:10][H:51])([H:52])[C@@:8]([O:7][C@:6]2([H:81])[O:5][C@@:4]([C:3]([O:2][H:90])([H:88])[H:89])([H:49])[C@:45]([O:46][H:86])([H:87])[C@@:43]([O:44][H:84])([H:85])[C@:41]2([O:42][H:82])[H:83])([H:50])[C@:38]([C:39]([O:40][H:77])([H:78])[H:79])([H:80])[O:37]1)[H:47]