4-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide → 2-(Tetrahydropyran-2-yl)methyl-7-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl]piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
Reaction equation
[F:32][C:33]([CH2:34][NH:35][C:36](=[O:37])[C:38]1([CH2:52][CH2:53][CH2:54][CH2:55][Br:56])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[O:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]21)([F:57])[F:58].[O:1]1[CH:2]([CH2:7][N:8]2[C:9](=[O:31])[c:10]3[cH:11][c:12]([N:18]4[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([CH2:7][N:8]2[C:9](=[O:31])[c:10]3[cH:11][c:12]([N:18]4[CH2:19][CH2:20][N:21]([CH2:55][CH2:54][CH2:53][CH2:52][C:38]5([C:36]([NH:35][CH2:34][C:33]([F:32])([F:57])[F:58])=[O:37])[c:39]6[cH:40][cH:41][cH:42][cH:43][c:44]6[O:45][c:46]6[cH:47][cH:48][cH:49][cH:50][c:51]65)[CH2:22][CH2:23]4)[cH:13][cH:14][c:15]3[CH2:16][CH2:17]2)[CH2:3][CH2:4][CH2:5][CH2:6]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-3c9d866faabd4f1cae34299f22f16d2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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