Methanol → Tert-butyl 4-{[2-({3-amino-5-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]-oxy}piperidine-1-carboxylate

반응식

[CH3:41][OH:42].[OH:1][C:2]1([c:6]2[s:7][c:8](-[c:11]3[cH:12][c:13]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([O:27][CH:28]5[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]5)[n:26]4)[cH:14][c:15]([N+:17]([O-:18])=[O:19])[cH:16]3)[cH:9][n:10]2)[CH2:3][CH2:4][CH2:5]1>>[OH:1][C:2]1([c:6]2[s:7][c:8](-[c:11]3[cH:12][c:13]([NH:20][c:21]4[n:22][cH:23][cH:24][c:25]([O:27][CH:28]5[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]5)[n:26]4)[cH:14][c:15]([NH2:17])[cH:16]3)[cH:9][n:10]2)[CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 2

HCID 887Methanol

HCID 67430540HCID 67430540, 화합물

생성물 1

HCID 67430891Tert-butyl 4-{[2-({3-amino-5-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]-oxy}piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-f5040920921d43a29844b80f5df0ae1b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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