Ethanol → HCID 58215719, compound
Reaction equation
[CH3:37][CH2:38][OH:39].[Cl:34][CH2:35][Cl:36].[NH2:32][NH2:33].[O:1]=[C:2]1[N:3]([CH2:12][c:13]2[cH:14][c:15](-[c:19]3[n:20]([CH3:30])[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[c:27]3[C:28]#[N:29])[cH:16][n:17][cH:18]2)[C:10](=[O:11])[c:5]2[c:4]1[cH:9][cH:8][cH:7][cH:6]2.[OH2:31]>>[NH2:3][CH2:12][c:13]1[cH:14][c:15](-[c:19]2[n:20]([CH3:30])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[c:27]2[C:28]#[N:29])[cH:16][n:17][cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-27e43580072d462db8e9ddf85d8f180a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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