Diphosgene → 6-Fluoro-5-isocyanato-3-propargyl-2-benzothiazolone

반응식

[C:16]([O:17][C:20]([Cl:21])([Cl:22])[Cl:23])([Cl:18])=[O:19].[NH2:1][c:2]1[c:3]([F:15])[cH:4][c:5]2[c:6]([n:7]([CH2:11][C:12]#[CH:13])[c:8](=[O:10])[s:9]2)[cH:14]1.[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1>>[N:1]([c:2]1[c:3]([F:15])[cH:4][c:5]2[c:6]([n:7]([CH2:11][C:12]#[CH:13])[c:8](=[O:10])[s:9]2)[cH:14]1)=[C:16]=[O:17]

참가 물질

반응물 3

HCID 10426Diphosgene

HCID 312751,4-Dioxane

HCID 139609955-Amino-6-fluoro-3-(prop-2-yn-1-yl)-1,3-benzothiazol-2(3H)-one

생성물 1

HCID 143064826-Fluoro-5-isocyanato-3-propargyl-2-benzothiazolone

출처 및 근거

ORD 기록: ord-a2d50a6e9160456aa1de25430c7e16df
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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