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Toluene → 2-[2-(3-Butyl-5-methyl-isoxazol-4-yl)-ethyl]-4-methyl-thiazole-5-carboxylic acid iso-propylamide

HRID 118181
노트
인쇄 미리보기

반응식

HRID 118181 반응식
[CH2:9]([CH2:10][CH2:11][CH3:12])[c:13]1[n:14][o:15][c:16]([CH3:29])[c:17]1[CH2:18][CH2:19][c:20]1[s:21][c:22]([C:26](=[O:27])[OH:28])[c:23]([CH3:25])[n:24]1.[CH3:1][CH:2]([CH3:3])[NH2:4].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:5][Al:6]([CH3:7])[CH3:8].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH3:1][CH:2]([CH3:3])[NH:4][C:26]([c:22]1[s:21][c:20]([CH2:19][CH2:18][c:17]2[c:13]([CH2:9][CH2:10][CH2:11][CH3:12])[n:14][o:15][c:16]2[CH3:29])[n:24][c:23]1[CH3:25])=[O:27]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 1140TolueneHCID 6363IsopropylamineHCID 312751,4-DioxaneHCID 16682925TrimethylaluminumHCID 666436692-[2-(3-Butyl-5-methyl-isoxazol-4-yl)-ethyl]-4-methyl-thiazole-5-carboxylic acid

생성물 1

HCID 497820372-[2-(3-Butyl-5-methyl-isoxazol-4-yl)-ethyl]-4-methyl-thiazole-5-carboxylic acid iso-propylamide

출처 및 근거

ORD 기록
ord-968abdf8c41f4dcaa7094b78ce9625f6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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