Acetonitrile → [1-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 7238334-(N-Boc-amino)piperidine

HCID 59011944(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-carbamic acid phenyl ester

생성물 1

HCID 59011963[1-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-5ee391e16ca44f4b8da59565bfb756e4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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