Ethanol → HCID 19611365, compound
Reaction equation
[C:4]([CH3:5])([CH3:6])([CH3:7])[c:8]1[n:9][c:10]([CH2:13][O:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]3[c:22]([O:23][CH2:24][CH2:25][N:26]4[C:27](=[O:28])[c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]5[C:35]4=[O:36])[cH:37][cH:38][c:39]([CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[c:47]4[cH:48][cH:49][c:50]([Cl:53])[cH:51][cH:52]4)[cH:40]3)[cH:54][cH:55][cH:56]2)[s:11][cH:12]1.[CH3:57][CH2:58][OH:59].[CH3:65][CH2:66][O:67][CH2:68][CH3:69].[NH2:2][NH2:3].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:1]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[c:8]1[n:9][c:10]([CH2:13][O:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]3[c:22]([O:23][CH2:24][CH2:25][NH2:26])[cH:37][cH:38][c:39]([CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[c:47]4[cH:48][cH:49][c:50]([Cl:53])[cH:51][cH:52]4)[cH:40]3)[cH:54][cH:55][cH:56]2)[s:11][cH:12]1Participants
7
Sources & evidence
- ORD record
- ord-2b0d3d85dc904ff2af82f7f0e36ea068
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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