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tert-Butyl (2-amino-4-chloro-5-methylphenyl)carbamate → (RS)-[4-Chloro-5-methyl-2-(3-{3-[2-methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-phenyl]-carbamic acid tert-butyl ester

HRID 201700
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HRID 201700 반응식
[C:18]([CH3:20])([CH3:21])([O:22][C:23](=[O:19])[CH2:24][C:25](=[O:26])[c:27]1[cH:28][c:29](-[c:33]2[cH:34][c:35]([CH3:47])[n:36][c:37]([CH2:39][O:40][CH:41]3[O:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:38]2)[cH:30][cH:31][cH:32]1)[CH3:48].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:16])[cH:10][c:11]([Cl:15])[c:12]([CH3:14])[cH:13]1)=[O:17]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:16][C:23](=[O:22])[CH2:24][C:25](=[O:26])[c:27]2[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH3:47])[n:36][c:37]([CH2:39][O:40][CH:41]4[O:42][CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:38]3)[cH:30][cH:31][cH:32]2)[cH:10][c:11]([Cl:15])[c:12]([CH3:14])[cH:13]1)=[O:17]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 69486983tert-Butyl (2-amino-4-chloro-5-methylphenyl)carbamateHCID 69489452(RS)-3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589465(RS)-[4-Chloro-5-methyl-2-(3-{3-[2-methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8357848dbad44219b827420821d821b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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