1,2-Dichloroethane → HCID 66695869, compound
Reaction equation
[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:15])[OH:16])[cH:5][cH:6][cH:7][cH:8]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:54][CH2:55][Cl:56].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[NH2:18][c:19]1[c:20]([C:21]#[N:22])[cH:23][c:24]([Cl:33])[c:25]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:26]1>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][o:11][c:12]([CH3:17])[c:13]2[C:14](=[O:16])[N:30]2[CH2:29][CH2:28][N:27]([c:25]3[c:24]([Cl:33])[cH:23][c:20]([C:21]#[N:22])[c:19]([NH2:18])[cH:26]3)[CH2:32][CH2:31]2)[cH:5][cH:6][cH:7][cH:8]1Participants
7
Sources & evidence
- ORD record
- ord-82732c93d0f441f798b38047b743e3ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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