3,4-Dichlorobenzenethiol → 6-[3-(3,4-Dichloro-phenylmercapto)-propoxy]-4-isopropyl-4H-3,1-benzoxazin-2-one

HRID 207546

반응식

HRID 207546 반응식
[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:19]1)[CH:11]([CH:16]([CH3:17])[CH3:18])[O:12][C:13](=[O:15])[NH:14]2.[Cl:20][c:21]1[cH:22][c:23]([SH:28])[cH:24][cH:25][c:26]1[Cl:27]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:19]1)[CH:11]([CH:16]([CH3:17])[CH3:18])[O:12][C:13](=[O:15])[NH:14]2)[S:28][c:23]1[cH:22][c:21]([Cl:20])[c:26]([Cl:27])[cH:25][cH:24]1

참가 물질

3

반응물 2

HCID 799643,4-DichlorobenzenethiolHCID 132604906-(3-chloropropoxy)-4-isopropyl-4H-3,1-benzoxazin-2-one

생성물 1

HCID 132605486-[3-(3,4-Dichloro-phenylmercapto)-propoxy]-4-isopropyl-4H-3,1-benzoxazin-2-one

출처 및 근거

ORD 기록
ord-4e54c6f900cc4cb8bad1c088b3ed05d4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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