Pyrrolidine → 1-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3-(pyrrolidinyl)-2,3-dihydro-1-benzofuran-5-yl)piperazine

반응식

[CH2:30]1[CH2:31][CH2:32][NH:33][CH2:34]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([CH3:29])[c:17]([CH3:28])[c:18]4[c:19]([c:26]3[CH3:27])[CH:20]([OH:25])[C:21]([CH3:23])([CH3:24])[O:22]4)[CH2:13][CH2:14]2)[cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([CH3:29])[c:17]4[c:18]([c:19]([CH3:20])[c:26]3[CH3:27])[O:22][C:21]([CH3:23])([CH3:24])[CH:28]4[N:33]3[CH2:32][CH2:31][CH2:30][CH2:34]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1

참가 물질

반응물 2

HCID 31268Pyrrolidine

HCID 674202085-(4-(4-Methoxyphenyl)piperazin-1-yl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-3-ol

생성물 1

HCID 101147821-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-3-(pyrrolidinyl)-2,3-dihydro-1-benzofuran-5-yl)piperazine

출처 및 근거

ORD 기록: ord-0947de0c023b4f9b83fad63f65e2377e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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