Ethanol → HCID 178478022, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH2:20])[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12.[Cl:21][c:22]1[c:23]2[nH:24][cH:25][n:26][c:27]2[n:28][cH:29][n:30]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH:20][c:22]3[c:23]4[n:24][cH:25][nH:26][c:27]4[n:28][cH:29][n:30]3)[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-e8bf23a2e2294228bcdb8113c4c01b7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
- DOI