1,2-Dichloroethane → HCID 57955324, compound
Reaction equation
[CH3:48][N:49]([C:50](=[O:51])[Cl:52])[CH3:53].[Cl:44][CH2:45][CH2:46][Cl:47].[N:1]#[N:2].[NH2:3][c:4]1[n:5][cH:6][n:7][n:8]2[c:9]1[c:10](-[c:22]1[cH:23][c:24]([F:43])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]3[c:33]([F:42])[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[cH:26][cH:27]1)[c:11]([CH2:19][O:20][CH3:21])[c:12]2[CH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[NH2:3][c:4]1[n:5][cH:6][n:7][n:8]2[c:9]1[c:10](-[c:22]1[cH:23][c:24]([F:43])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]3[c:33]([F:42])[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[cH:26][cH:27]1)[c:11]([CH2:19][O:20][CH3:21])[c:12]2[CH:13]1[CH2:14][CH2:15][N:16]([C:50]([N:49]([CH3:48])[CH3:53])=[O:51])[CH2:17][CH2:18]1Participants
6
Sources & evidence
- ORD record
- ord-e63556a48f254f5faefbbd2bf5b0aea6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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