Tetrahydrofuran → Rho-Kinase-IN-1

반응식

[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:17][S:18][c:19]1[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]1.[NH:1]1[CH2:2][CH:3]([NH:7][c:8]2[cH:9][c:10]3[cH:11][n:12][nH:13][c:14]3[cH:15][cH:16]2)[CH2:4][CH2:5][CH2:6]1>>[N:1]1([CH2:23][c:22]2[cH:21][cH:20][c:19]([S:18][CH3:17])[cH:26][cH:25]2)[CH2:2][CH:3]([NH:7][c:8]2[cH:9][c:10]3[cH:11][n:12][nH:13][c:14]3[cH:15][cH:16]2)[CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 769854-(Methylthio)benzaldehyde

HCID 22933426N-piperidin-3-yl-1H-indazol-5-amine

생성물 1

HCID 25008330Rho-Kinase-IN-1

출처 및 근거

ORD 기록: ord-f951ad477a014a4ca199b6150683bb5b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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