Citric Acid → 4-[4-(4-Bromoindol-1-yl)-pyrimidin-2-ylamino]-cyclo-hexanecarboxylic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][CH:9]([NH:12][c:13]2[n:14][cH:15][cH:16][c:17](-[n:19]3[cH:20][cH:21][c:22]4[c:23]([Br:28])[cH:24][cH:25][cH:26][c:27]34)[n:18]2)[CH2:10][CH2:11]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][OH:52].[Li+:30].[OH-:29].[OH2:31].[OH2:53].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH2:7][CH2:8][CH:9]([NH:12][c:13]2[n:14][cH:15][cH:16][c:17](-[n:19]3[cH:20][cH:21][c:22]4[c:23]([Br:28])[cH:24][cH:25][cH:26][c:27]34)[n:18]2)[CH2:10][CH2:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-459cda4073b74a2dae26370f161265ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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