3-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl bromide → ethyl 2-methyl-3-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl]piperazin-1-yl]benzoate
Reaction equation
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][cH:11][c:12]1[N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[F:19][C:20]([CH2:21][NH:22][C:23](=[O:24])[C:25]1([CH2:39][CH2:40][CH2:41][Br:42])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]21)([F:43])[F:44]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][cH:11][c:12]1[N:13]1[CH2:14][CH2:15][N:16]([CH2:41][CH2:40][CH2:39][C:25]2([C:23]([NH:22][CH2:21][C:20]([F:19])([F:43])[F:44])=[O:24])[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)[CH2:17][CH2:18]1Participants
3
Sources & evidence
- ORD record
- ord-d6f1614b3d9b43109cd83f1a8250e1a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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