Acetic Acid → 2-chloro-9-cyclopentyl-N-[2-[[[4-(trifluoromethyl)-phenyl]-methyl]-amino]-ethyl]-9H-purin-6-amine
Reaction equation
[C:34]([BH3-:35])#[N:36].[CH3:20][OH:21].[CH3:38][C:39](=[O:40])[OH:41].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31]1)([F:32])[F:33].[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[c:10]2[n:11][c:12]([Cl:14])[n:13]1.[Na+:37]>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[c:10]2[n:11][c:12]([Cl:14])[n:13]1)[CH2:28][c:27]1[cH:26][cH:25][c:24]([C:23]([F:22])([F:32])[F:33])[cH:31][cH:30]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-97cde7adb30c42d7b80c14c4e5a046db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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