Methanol → tert-butyl 1-(2-chloro-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidin-4-ylcarbamate

반응식

[CH3:19][C:20]1([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:34][OH:35].[Cl:1][c:2]1[n:3][c:4]([Cl:18])[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2>>[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:22][CH2:21][C:20]([CH3:19])([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:25][CH2:24]2)[c:5]2[c:6]([n:7]1)[CH:8]([c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[CH2:9][CH2:10]2

참가 물질

반응물 3

HCID 887Methanol

HCID 196913701,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate

HCID 580754242,4-Dichloro-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[D]pyrimidine

생성물 1

HCID 58075416tert-butyl 1-(2-chloro-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidin-4-ylcarbamate

출처 및 근거

ORD 기록: ord-f6c60839b5c043fba3225b72187cc938
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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