1-(2-Chloroethyl)-3-(trifluoromethyl)benzene → HCID 24895880, compound
Reaction equation
[CH3:1][O:2][c:3]1[c:4]([S:11][c:12]2[nH:13][c:14]3[n:15][cH:16][n:17][c:18]([NH2:21])[c:19]3[n:20]2)[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1.[Cl:22][CH2:23][CH2:24][c:25]1[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]1>>[CH3:1][O:2][c:3]1[c:4]([S:11][c:12]2[n:13]([CH2:23][CH2:24][c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[c:14]3[n:15][cH:16][n:17][c:18]([NH2:21])[c:19]3[n:20]2)[cH:5][c:6]([O:9][CH3:10])[cH:7][cH:8]1Participants
3
Sources & evidence
- ORD record
- ord-785efcb224574bde8d0af4fe29e2b02a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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