4-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide → HCID 178429862, compound
Reaction equation
[CH3:28][CH:29]1[CH2:30][N:31]([c:36]2[n:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[cH:44][cH:45]2)[CH2:32][CH:33]([CH3:35])[NH:34]1.[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][Br:25])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27]>>[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][N:34]2[CH:29]([CH3:28])[CH2:30][N:31]([c:36]3[n:37][c:38]4[cH:39][cH:40][cH:41][cH:42][c:43]4[cH:44][cH:45]3)[CH2:32][CH:33]2[CH3:35])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27]Participants
3
Sources & evidence
- ORD record
- ord-a0b16bc1a8c442c18a8cb6dccfe6a8fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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