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(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → (RS)-[4-Cyano-5-(isobutyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-(1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester

HRID 184383
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인쇄 미리보기

반응식

HRID 184383 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:20]#[N:21])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31]([c:32]1[cH:33][c:34](-[n:38]2[n:39][n:40][cH:41][c:42]2[CH2:43][O:44][CH:45]2[O:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[cH:35][cH:36][cH:37]1)=[O:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31]([c:32]2[cH:33][c:34](-[n:38]3[n:39][n:40][cH:41][c:42]3[CH2:43][O:44][CH:45]3[O:46][CH2:47][CH2:48][CH2:49][CH2:50]3)[cH:35][cH:36][cH:37]2)=[O:51])[cH:10][c:11]([C:20]#[N:21])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:13]1)=[O:23]
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참가 물질

3

반응물 2

HCID 12048028(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl esterHCID 69688222Carbamic acid,[2-amino-4-cyano-5-[methyl(2-methylpropyl)amino]phenyl]-,1,1-dimethylethyl ester

생성물 1

HCID 86586881(RS)-[4-Cyano-5-(isobutyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-(1,2,3]triazol-1-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-5d466a6df397486b87da22e40859593c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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