2-Amino-2-methyl-1-propanol → (4-Amino-2-[1-[3-(2-hydroxy-1,1-dimethyl-ethylamino)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(2,3-difluoro-6-methoxy-phenyl)-methanone

HRID 1114783

반응식

HRID 1114783 반응식
[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH2:31][CH2:32][Cl:33])[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17].[NH2:34][C:35]([CH2:36][OH:37])([CH3:38])[CH3:39]>>[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH2:31][CH2:32][NH:34][C:35]([CH2:36][OH:37])([CH3:38])[CH3:39])[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17]

참가 물질

3

반응물 2

HCID 118072-Amino-2-methyl-1-propanolHCID 9983584[4-Amino-2-[1-(3-chloro-propane-1-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

생성물 1

HCID 10415314(4-Amino-2-[1-[3-(2-hydroxy-1,1-dimethyl-ethylamino)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(2,3-difluoro-6-methoxy-phenyl)-methanone

출처 및 근거

ORD 기록
ord-eebabe389b9f450791167a272fe7a5a1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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