Acetate → 1-[2-[4-(6-fluoronaphthalen-1-yl)-2-methylpiperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromen-6-amine
Reaction equation
[CH3:46][C:47](=[O:48])[O-:49].[CH3:54][OH:55].[ClH:50].[NH2:51][OH:52].[Na+:45].[OH2:53].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:39]2)=[N:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:38]2)[CH2:14][CH2:15][O:16][CH:17]3[CH2:18][CH2:19][N:20]2[CH:21]([CH3:37])[CH2:22][N:23]([c:26]3[cH:27][cH:28][cH:29][c:30]4[cH:31][c:32]([F:36])[cH:33][cH:34][c:35]34)[CH2:24][CH2:25]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[NH2:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:38]1)[CH2:14][CH2:15][O:16][CH:17]2[CH2:18][CH2:19][N:20]1[CH:21]([CH3:37])[CH2:22][N:23]([c:26]2[cH:27][cH:28][cH:29][c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][c:35]23)[CH2:24][CH2:25]1Participants
8
Sources & evidence
- ORD record
- ord-e60dfbc451e044c99f71fef6a1cc5a85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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