1,2-Dichloroethane → HCID 178426500, compound
Reaction equation
[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[c:16]([F:22])[cH:17][cH:18][c:19]([NH2:21])[cH:20]2)[CH2:11][O:10][C:9]1([C:23]([F:24])([F:25])[F:26])[CH3:27])=[O:28].[C:29](#[N:30])[c:31]1[cH:32][c:33]([CH3:40])[c:34]([C:37](=[O:38])[OH:39])[n:35][cH:36]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[ClH:45].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]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[c:16]([F:22])[cH:17][cH:18][c:19]([NH:21][C:37]([c:34]3[c:33]([CH3:40])[cH:32][c:31]([C:29]#[N:30])[cH:36][n:35]3)=[O:38])[cH:20]2)[CH2:11][O:10][C:9]1([C:23]([F:24])([F:25])[F:26])[CH3:27])=[O:28]Participants
8
Sources & evidence
- ORD record
- ord-e9f7afb0a6d94632aa8feb4690bb4bf2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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