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Dichloromethane → 6-[(cyclopropylmethyl)(propyl)amino]-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine-4-carboxamide

HRID 678000
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인쇄 미리보기

반응식

HRID 678000 반응식
[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[CH:1]1([CH2:4][N:5]([c:6]2[cH:7][c:8]([C:12](=[O:13])[OH:14])[n:9][cH:10][n:11]2)[CH2:15][CH2:16][CH3:17])[CH2:2][CH2:3]1.[Cl:27][C:28]([O:29][CH3:30])=[O:31].[Cl:44][CH2:45][Cl:46].[n:32]1(-[c:37]2[cH:38][cH:39][c:40]([NH2:41])[cH:42][cH:43]2)[n:33][cH:34][n:35][cH:36]1>>[CH:1]1([CH2:4][N:5]([c:6]2[cH:7][c:8]([C:12](=[O:14])[NH:41][c:40]3[cH:39][cH:38][c:37](-[n:32]4[n:33][cH:34][n:35][cH:36]4)[cH:43][cH:42]3)[n:9][cH:10][n:11]2)[CH2:15][CH2:16][CH3:17])[CH2:2][CH2:3]1
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반응물 5

HCID 6344DichloromethaneHCID 6586Methyl chloroformateHCID 81531DiisopropylethylamineHCID 7358264-(1,2,4-Triazol-1-yl)anilineHCID 594470006-[(Cyclopropylmethyl)(propyl)amino]pyrimidine-4-carboxylic acid

생성물 1

HCID 594468546-[(cyclopropylmethyl)(propyl)amino]-N-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine-4-carboxamide

출처 및 근거

ORD 기록
ord-320fac6359e64179966be066bc9a5f8c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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