Hydrogen Bromide → 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-yl]benzonitrile

반응식

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

참가 물질

반응물 3

HCID 260Hydrogen Bromide

HCID 130032-Methylpyrrolidine

HCID 222744662-[5-(4-Cyanophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl methanesulfonate

생성물 1

HCID 1784261644-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-yl]benzonitrile

출처 및 근거

ORD 기록: ord-4c3e21e781534d9882e983d95c91fedc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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