Ethanol → HCID 178424423, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][C:7]1([CH2:57][O:58][S:59](=[O:60])(=[O:61])[c:62]2[c:63]([CH3:68])[cH:64][cH:65][cH:66][cH:67]2)[CH:8]([O:45][CH2:46][c:47]2[cH:48][cH:49][cH:50][c:51]3[cH:52][cH:53][cH:54][cH:55][c:56]23)[CH:9]([O:33][N:34]2[C:35](=[O:36])[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[C:43]2=[O:44])[C:10]([n:12]2[c:13](=[O:14])[nH:15][c:16](=[O:17])[cH:18][cH:19]2)([SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[O:11]1.[CH3:72][CH2:73][OH:74].[NH2:70][NH2:71].[OH2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][CH2:6][C:7]1([CH2:57][O:58][S:59](=[O:60])(=[O:61])[c:62]2[c:63]([CH3:68])[cH:64][cH:65][cH:66][cH:67]2)[CH:8]([O:45][CH2:46][c:47]2[cH:48][cH:49][cH:50][c:51]3[cH:52][cH:53][cH:54][cH:55][c:56]23)[CH:9]([O:33][NH2:34])[C:10]([n:12]2[c:13](=[O:14])[nH:15][c:16](=[O:17])[cH:18][cH:19]2)([SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[O:11]1Participants
5
Sources & evidence
- ORD record
- ord-1a3d3a7779334579aad54aaeab1b82a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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