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Hydrochloric Acid → 2-{4-[3-(N,N-Dimethyl)amino-2-hydroxypropoxy]anilino}-4-(N-(carbamoylmethyl)anilino)pyrimidine

HRID 187592
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HRID 187592 반응식
[CH3:21][N:22]([CH3:23])[CH2:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]1)[OH:35].[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][C:16]([NH2:17])=[O:18])[n:7]1.[ClH:19].[ClH:20]>>[c:2]1([NH:32][c:31]2[cH:30][cH:29][c:28]([O:27][CH2:26][CH:25]([CH2:24][N:22]([CH3:21])[CH3:23])[OH:35])[cH:34][cH:33]2)[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][C:16]([NH2:17])=[O:18])[n:7]1
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반응물 4

HCID 313Hydrochloric Acid2회HCID 13387N-methyl-2-pyrrolidoneHCID 111951791-(4-Aminophenoxy)-3-(dimethylamino)propan-2-olHCID 210837442-Chloro-4-(N-(carbamoylmethyl)anilino)pyrimidine

생성물 1

HCID 210837312-{4-[3-(N,N-Dimethyl)amino-2-hydroxypropoxy]anilino}-4-(N-(carbamoylmethyl)anilino)pyrimidine

출처 및 근거

ORD 기록
ord-deecce0fe715454da0b69198a83338be
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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