4-Bromothioanisole → 1-[4-(Methylsulfanyl)phenyl]-4-(2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

HRID 184404

반응식

HRID 184404 반응식
[Br:20][c:21]1[cH:22][cH:23][c:24]([S:27][CH3:28])[cH:25][cH:26]1.[CH3:1][CH:2]1[O:3][c:4]2[c:5]([c:7]([CH3:19])[c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1>>[CH3:1][CH:2]1[O:3][c:4]2[c:5]([c:7]([CH3:19])[c:8]([N:13]3[CH2:14][CH2:15][N:16]([c:21]4[cH:22][cH:23][c:24]([S:27][CH3:28])[cH:25][cH:26]4)[CH2:17][CH2:18]3)[c:9]([CH3:12])[c:10]2[CH3:11])[CH2:6]1

참가 물질

3

반응물 2

HCID 660374-BromothioanisoleHCID 667598101-(2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

생성물 1

HCID 594849931-[4-(Methylsulfanyl)phenyl]-4-(2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

출처 및 근거

ORD 기록
ord-12acb3de5ec048b7b44971aef9b5f453
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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