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Isopropanol → 3-(4-(methoxymethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate

HRID 1208259
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HRID 1208259 반응식
[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][O:21][CH3:22])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:23])[CH3:24].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[CH:45]([OH:46])([CH3:47])[CH3:48].[Cl:34][c:35]1[c:36]2[c:37]([n:38][cH:39][n:40]1)[nH:41][cH:42][c:43]2[CH3:44]>>[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][O:21][CH3:22])[CH2:15][CH2:16][N:17]([c:35]3[c:36]4[c:37]([n:38][cH:39][n:40]3)[nH:41][cH:42][c:43]4[CH3:44])[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:23])[CH3:24]
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참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 81531DiisopropylethylamineHCID 148092824-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidineHCID 670369673-(4-(Methoxymethyl)piperidine-4-carboxamido)phenyl dimethylcarbamate

생성물 1

HCID 579201943-(4-(methoxymethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate

출처 및 근거

ORD 기록
ord-1d56e593f9954efca191dee5fa4044fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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