Toluene → HCID 69182729, compound
Reaction equation
[CH2:39]([Cl:40])[Cl:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]([C:30]#[N:31])[cH:12][n:13][c:14]3[cH:15][n:16][c:17]([NH:20][CH2:21][c:22]4[cH:23][cH:24][c:25]([O:26][CH3:27])[cH:28][cH:29]4)[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]([C:30]#[N:31])[cH:12][n:13][c:14]3[cH:15][n:16][c:17]([NH2:20])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[F:8]Participants
5
Sources & evidence
- ORD record
- ord-109354144c624c7fb096ce9350e8cf65
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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