Diisopropylethylamine → 1-(4-Bromo-2-ethylphenyl)-4-(toluene-4-sulfonyl)piperazine

HRID 173452

반응식

HRID 173452 반응식
[Br:1][c:2]1[cH:3][c:4]([CH2:9][CH3:10])[c:5]([NH2:6])[cH:7][cH:8]1.[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[Cl:20][CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]1[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]1)[CH2:34][CH2:35][Cl:36]>>[Br:1][c:2]1[cH:3][c:4]([CH2:9][CH3:10])[c:5]([N:6]2[CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]3[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]3)[CH2:34][CH2:35]2)[cH:7][cH:8]1

참가 물질

4

반응물 3

HCID 81531DiisopropylethylamineHCID 96039N,N-bis(2-chloroethyl)-p-toluenesulphonamideHCID 28012834-Bromo-2-ethylaniline

생성물 1

HCID 673813351-(4-Bromo-2-ethylphenyl)-4-(toluene-4-sulfonyl)piperazine

출처 및 근거

ORD 기록
ord-e45166d1eb144038b5a75beadb4ddec3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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