1,2-Dichloroethane → HCID 57602578, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]#[C:10][CH2:11][NH2:12])=[O:13].[CH2:36]([Cl:37])[CH2:38][Cl:39].[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[Cl:40][CH2:41][Cl:42].[F:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[OH:28])[c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)[cH:19][cH:20]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]#[C:10][CH2:11][NH:12][C:26]([CH2:25][CH2:24][CH2:23][CH2:22][CH:21]([c:18]1[cH:17][cH:16][c:15]([F:14])[cH:20][cH:19]1)[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)=[O:27])=[O:13]Participants
6
Sources & evidence
- ORD record
- ord-76af0adf013e4f1f8ce82c26a61a0afe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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