1,2-Dichloroethane → HCID 178436593, compound
Reaction equation
[Br:22][c:23]1[n:24][c:25]([CH3:31])[nH:26][c:27]1[C:28](=[O:29])[OH:30].[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:1][CH2:2][c:3]1[c:4]([F:21])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH2:19][CH3:20])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([F:21])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH2:19][CH3:20])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[C:28]([c:27]1[c:23]([Br:22])[n:24][c:25]([CH3:31])[nH:26]1)=[O:29]Participants
5
Sources & evidence
- ORD record
- ord-01bd8c2217fb4a4aba30a73a3fd95832
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)