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1,2-Dichloroethane → 3-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

HRID 160817
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반응식

HRID 160817 반응식
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:32][NH:33][CH2:34][c:35]1[c:36]([CH3:44])[o:37][c:38]2[c:39]1[cH:40][cH:41][cH:42][cH:43]2.[ClH:5].[NH2:6][c:7]1[c:8]([C:18]([CH3:19])([CH3:20])[OH:21])[cH:9][c:10]([CH:13]=[CH:14][C:15](=[O:16])[OH:17])[cH:11][n:12]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[NH2:6][c:7]1[c:8]([C:18]([CH3:19])([CH3:20])[OH:21])[cH:9][c:10]([CH:13]=[CH:14][C:15](=[O:17])[N:33]([CH3:32])[CH2:34][c:35]2[c:36]([CH3:44])[o:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[cH:11][n:12]1
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참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 669670823-[6-Amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]prop-2-enoic acidHCID 66967084Methyl(2-methylbenzofuran-3-ylmethyl)amine

생성물 1

HCID 669674443-[6-amino-5-(2-hydroxypropan-2-yl)-3-pyridinyl]-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

출처 및 근거

ORD 기록
ord-893535152c8e43399622315de45a1cdd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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