Ethanol → 1-[3-(3,4-Dichloro-phenyl)-pyrazol-1-yl]-3-(4-o-tolyl-piperazin-1-yl)-propan-2-ol

HRID 145874

반응식

HRID 145874 반응식
[CH3:18][c:19]1[c:20]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:21][cH:22][cH:23][cH:24]1.[CH3:31][CH2:32][OH:33].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([CH2:14][CH:15]3[O:16][CH2:17]3)[cH:12][cH:13]2)[cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11]([CH2:14][CH:15]([OH:16])[CH2:17][N:28]3[CH2:27][CH2:26][N:25]([c:20]4[c:19]([CH3:18])[cH:24][cH:23][cH:22][cH:21]4)[CH2:30][CH2:29]3)[cH:12][cH:13]2)[cH:5][cH:6][c:7]1[Cl:8]

참가 물질

4

반응물 3

HCID 702EthanolHCID 919652-MeppHCID 179754053-(3,4-dichloro-phenyl)-1-oxiranylmethyl-1H-pyrazole

생성물 1

HCID 102255171-[3-(3,4-Dichloro-phenyl)-pyrazol-1-yl]-3-(4-o-tolyl-piperazin-1-yl)-propan-2-ol

출처 및 근거

ORD 기록
ord-bd16499d975f4759920ecca732561e2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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