Ethanol → HCID 178473220, compound
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:49][CH2:50][OH:51].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[Cl:61][CH2:62][Cl:63].[F:8][C:9]([c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[CH2:16][CH:17]([CH2:32][CH3:33])[N:18]([C:29](=[O:30])[Cl:31])[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[n:23][c:24]32)[c:34]2[n:35][n:36][n:37]([CH3:39])[n:38]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]>>[F:8][C:9]([c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[CH2:16][CH:17]([CH2:32][CH3:33])[N:18]([C:29](=[O:30])[O:51][CH2:50][CH3:49])[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[n:23][c:24]32)[c:34]2[n:35][n:36][n:37]([CH3:39])[n:38]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]Participants
6
Sources & evidence
- ORD record
- ord-3648c13dee854017aa0f6f2c6c30f102
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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