Dichloromethane → (E)-4-(3-iodophenyl)-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:27]2[cH:28][c:29]([I:33])[cH:30][cH:31][cH:32]2)=[O:34])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)([CH3:6])([CH3:26])[CH3:35].[Cl:43][CH2:44][Cl:45].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[N:7]1=[C:25]([c:27]2[cH:28][c:29]([I:33])[cH:30][cH:31][cH:32]2)[CH2:24][C:23](=[O:34])[NH:22][c:9]2[c:8]1[cH:13][cH:12][c:11]([C:14]#[C:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:10]2Participants
4
Sources & evidence
- ORD record
- ord-367a9130a8e64bb0a49e6fe4c7c8ecf0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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