Ammonia → 1-(3-Bromo-4-ethyl-anilino)-4-[2-(2-chloro-pyridin-4-yl)ethyl]-isoquinoline
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][c:9]([CH2:16][CH2:17][c:18]3[cH:19][c:20]([OH:24])[n:21][cH:22][cH:23]3)[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:25][cH:26][c:27]1[CH2:28][CH3:29].[CH3:37][C:38]#[N:39].[ClH:35].[NH3:36].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[P:30]([Cl:31])([Cl:32])([Cl:33])=[O:34]>>[Br:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][c:9]([CH2:16][CH2:17][c:18]3[cH:19][c:20]([Cl:32])[n:21][cH:22][cH:23]3)[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:25][cH:26][c:27]1[CH2:28][CH3:29]Participants
7
Sources & evidence
- ORD record
- ord-32aaf21d909f43f9a50b7df2fb05042d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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