Ethanol → HCID 178516788, compound
Reaction equation
[CH2:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:47]1)[O:8][C:9](=[O:2])[NH:10][CH2:11][C:12]([NH:13][CH:14]1[CH:15]([OH:45])[CH:16]([OH:44])[CH:17]([n:19]2[c:20]3[n:21][c:22]([Cl:43])[n:23][c:24]([NH:28][CH2:29][CH:30]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:25]3[n:26][cH:27]2)[CH2:18]1)=[O:46].[CH3:48][CH2:49][OH:50]>>[O:8]=[C:9]1[NH:10][CH2:11][C:12](=[O:46])[N:13]1[CH:14]1[CH:15]([OH:45])[CH:16]([OH:44])[CH:17]([n:19]2[c:20]3[n:21][c:22]([Cl:43])[n:23][c:24]([NH:28][CH2:29][CH:30]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:25]3[n:26][cH:27]2)[CH2:18]1Participants
3
Sources & evidence
- ORD record
- ord-5a0684b49afd435ba6557a506ef9ba62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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