4-Chlorobenzoic Acid → 2-[[4-(4-Chlorobenzoyl)-1-piperazinyl]methyl]-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine

반응식

[CH3:1][C:2]1([CH2:15][N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[O:3][c:4]2[c:5]([c:7]([CH3:14])[c:8]([NH2:13])[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1.[OH:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]1>>[CH3:1][C:2]1([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([C:23](=[O:22])[c:25]3[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]3)[CH2:20][CH2:21]2)[O:3][c:4]2[c:5]([c:7]([CH3:14])[c:8]([NH2:13])[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1

참가 물질

반응물 2

HCID 63184-Chlorobenzoic Acid

HCID 219977792,3-Dihydro-2,4,6,7-tetramethyl-2-[(1-piperazinyl)methyl]-5-benzofuranamine

생성물 1

HCID 221109622-[[4-(4-Chlorobenzoyl)-1-piperazinyl]methyl]-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine

출처 및 근거

ORD 기록: ord-0575d510324b4ce0a6c577d5188f8cc2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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