1,1-Dichloroethane → HCID 67727741, compound
Reaction equation
[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cl:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[Cl:38])[cH:39][cH:40][c:41]1[Cl:42].[Cl:43][CH:44]([Cl:45])[CH3:46].[NH2:1][CH2:2][c:3]1[n:4][n:5][c:6]2[n:7]1-[c:8]1[c:9]([cH:20][c:21]([CH2:23][CH3:24])[s:22]1)[C:10]([c:13]1[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]1)=[N:11][CH2:12]2>>[NH:1]([CH2:2][c:3]1[n:4][n:5][c:6]2[n:7]1-[c:8]1[c:9]([cH:20][c:21]([CH2:23][CH3:24])[s:22]1)[C:10]([c:13]1[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]1)=[N:11][CH2:12]2)[C:36]([c:35]1[cH:34][c:33]([Cl:32])[c:41]([Cl:42])[cH:40][cH:39]1)=[O:37]Participants
5
Sources & evidence
- ORD record
- ord-e6c3f9e0f9714084913217eb7d143e7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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