1,2-Dichloroethane → HCID 90074432, compound
Reaction equation
[Br:28][c:29]1[cH:30][cH:31][c:32]([C:35](=[O:36])[OH:37])[n:33][cH:34]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[cH:16][c:17]([NH2:21])[cH:18][cH:19][cH:20]2)[CH2:11][O:10][C:9]1([C:22]([F:23])([F:24])[F:25])[CH3:26])=[O:27].[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:42][n:43]1[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH3:14])([c:15]2[cH:16][c:17]([NH:21][C:35]([c:32]3[cH:31][cH:30][c:29]([Br:28])[cH:34][n:33]3)=[O:36])[cH:18][cH:19][cH:20]2)[CH2:11][O:10][C:9]1([C:22]([F:23])([F:24])[F:25])[CH3:26])=[O:27]Participants
7
Sources & evidence
- ORD record
- ord-ca6cf34a83ed486da8ebef4d175353c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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