SMIRKS
[H][O:1][H:47].[O:2]([C:3]([C@@:4]1([H:49])[O:5][C@@:6]([O:7][C:8]([C@@:9]2([H:50])[O:10][C@@:11]([O:12][C@@:13]3([H:51])[C@@:14]([O:15][H:52])([H:53])[C@:16]([O:17][H:54])([H:55])[C@:18]([O:19][H:56])([H:57])[O:20][C@@:21]3([C:22]([O:23][H:58])([H:59])[H:60])[H:61])([H:62])[C@@:24]([O:25][H:63])([H:64])[C@:26]([O:27][H:65])([H:66])[C@@:28]2([O:29][C@@:30]2([H:67])[O:31][C@@:32]([C:33]([O:34][H:68])([H:69])[H:70])([H:71])[C@:35]([O:36][H:72])([H:73])[C@@:37]([O:38][H:74])([H:75])[C@:39]2([O:40][H:76])[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:12][C@@:13]1([H:51])[C@@:14]([O:15][H:52])([H:53])[C@:16]([O:17][H:54])([H:55])[C@:18]([O:19][H:56])([H:57])[O:20][C@@:21]1([C:22]([O:23][H:58])([H:59])[H:60])[H:61].[O:1]([C@@:11]1([H:62])[O:10][C@@:9]([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:79])[H:80])([H:50])[C@:28]([O:29][C@@:30]2([H:67])[O:31][C@@:32]([C:33]([O:34][H:68])([H:69])[H:70])([H:71])[C@:35]([O:36][H:72])([H:73])[C@@:37]([O:38][H:74])([H:75])[C@:39]2([O:40][H:76])[H:77])([H:78])[C@@:26]([O:27][H:65])([H:66])[C@:24]1([O:25][H:63])[H:64])[H:47]
Derived Operators
EVODEX.1-E71 - Reaction Operator E
[#8:1](-[H:47])-[H].([#8:10]1-[#6@@:9]-[#6@:28](-[#6@@:26](-[#6@:24](-[#6@:11]-1(-[#8:12]-[#6@@:13])-[H:62])(-[#8:25])-[H:64])(-[#8:27])-[H:66])(-[#8:29])-[H:78].[#8:42]-[#6@:41](-[#6@@:6])(-[H:83])-[#6@:43](-[#8:44])(-[H:85])-[#6@@:45](-[#6@@:4])(-[#8:46])-[H:87])>>[#8:12](-[#6@@:13])-[H].([#8:1](-[#6@@:11]1(-[H:62])-[#8:10]-[#6@@:9]-[#6@:28](-[#8:29])(-[H:78])-[#6@@:26](-[#8:27])(-[H:66])-[#6@:24]-1(-[#8:25])-[H:64])-[H:47].[#8:46]-[#6@@:45](-[#6@@:4])(-[H:87])-[#6@@:43](-[#8:44])(-[H:85])-[#6@:41](-[#6@@:6])(-[#8:42])-[H:83])
EVODEX.1-C532 - Reaction Operator C
[H]-[#8:1].([#8:12]-[#6@@:11]-[#6@@:24]-[#6@:26]-[#6@@:28].[#6@@:41]-[#6@:43]-[#6@@:45])>>[H]-[#8:12].([#8:1]-[#6@@:11]-[#6@:24]-[#6@@:26]-[#6@:28].[#6@:45]-[#6@@:43]-[#6@:41])
EVODEX.1-N676 - Reaction Operator N
[H]-[#8:1]-[H:47].([#8:10]1-[#6@@:9]-[#6@:28](-[#6@@:26](-[#6@:24](-[#6@:11]-1(-[#8:12]-[#6@@:13])-[H:62])(-[#8:25])-[H:64])(-[#8:27])-[H:66])(-[#8:29])-[H:78].[#8:42]-[#6@:41](-[#6@@:6])(-[H:83])-[#6@:43](-[#8:44])(-[H:85])-[#6@@:45](-[#6@@:4])(-[#8:46])-[H:87])>>[H]-[#8:12]-[#6@@:13].([#8:1](-[#6@@:11]1(-[H:62])-[#8:10]-[#6@@:9]-[#6@:28](-[#8:29])(-[H:78])-[#6@@:26](-[#8:27])(-[H:66])-[#6@:24]-1(-[#8:25])-[H:64])-[H:47].[#8:46]-[#6@@:45](-[#6@@:4])(-[H:87])-[#6@@:43](-[#8:44])(-[H:85])-[#6@:41](-[#6@@:6])(-[#8:42])-[H:83])
EVODEX.1-Em32 - Reaction Operator Em
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
EVODEX.1-Nm33 - Reaction Operator Nm
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
Source Full Reactions
EVODEX.1-R5380
[H][O:1][H:47].[O:2]([C:3]([C@@:4]1([H:49])[O:5][C@@:6]([O:7][C:8]([C@@:9]2([H:50])[O:10][C@@:11]([O:12][C@@:13]3([H:51])[C@@:14]([O:15][H:52])([H:53])[C@:16]([O:17][H:54])([H:55])[C@:18]([O:19][H:56])([H:57])[O:20][C@@:21]3([C:22]([O:23][H:58])([H:59])[H:60])[H:61])([H:62])[C@@:24]([O:25][H:63])([H:64])[C@:26]([O:27][H:65])([H:66])[C@@:28]2([O:29][C@@:30]2([H:67])[O:31][C@@:32]([C:33]([O:34][H:68])([H:69])[H:70])([H:71])[C@:35]([O:36][H:72])([H:73])[C@@:37]([O:38][H:74])([H:75])[C@:39]2([O:40][H:76])[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:12][C@@:13]1([H:51])[C@@:14]([O:15][H:52])([H:53])[C@:16]([O:17][H:54])([H:55])[C@:18]([O:19][H:56])([H:57])[O:20][C@@:21]1([C:22]([O:23][H:58])([H:59])[H:60])[H:61].[O:1]([C@@:11]1([H:62])[O:10][C@@:9]([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:79])[H:80])([H:50])[C@:28]([O:29][C@@:30]2([H:67])[O:31][C@@:32]([C:33]([O:34][H:68])([H:69])[H:70])([H:71])[C@:35]([O:36][H:72])([H:73])[C@@:37]([O:38][H:74])([H:75])[C@:39]2([O:40][H:76])[H:77])([H:78])[C@@:26]([O:27][H:65])([H:66])[C@:24]1([O:25][H:63])[H:64])[H:47]