Water → 2-((9-amino-7-bromo-4-fluoro-2-methoxy-9H-xanthen-9-yl)methoxy)acetonitrile
Reaction equation
[Br:28][CH2:29][C:30]#[N:31].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[Li+:27].[NH2:1][C:2]1([CH2:20][OH:21])[c:3]2[cH:4][c:5]([Br:19])[cH:6][cH:7][c:8]2[O:9][c:10]2[c:11]([F:18])[cH:12][c:13]([O:16][CH3:17])[cH:14][c:15]21.[OH2:32]>>[NH2:1][C:2]1([CH2:20][O:21][CH2:29][C:30]#[N:31])[c:3]2[cH:4][c:5]([Br:19])[cH:6][cH:7][c:8]2[O:9][c:10]2[c:11]([F:18])[cH:12][c:13]([O:16][CH3:17])[cH:14][c:15]21Participants
7
Sources & evidence
- ORD record
- ord-502030251f3d4b5691b1ffa66edf79b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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