Toluene → Chloride

HRID 144693

반응식

HRID 144693 반응식
[B:17]([Cl:18])([Cl:19])[Cl:20].[CH3:1][C:2]1([CH3:12])[CH:3]([C:9](=[O:10])[OH:11])[CH:4]1[CH:5]=[C:6]([CH3:7])[CH3:8].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[S:13]([Cl:14])([Cl:15])=[O:16]>>[CH3:1][C:2]1([CH3:12])[CH:3]([C:9](=[O:10])[OH:11])[CH:4]1[CH:5]=[C:6]([CH3:7])[CH3:8].[Cl-:15]

참가 물질

6

반응물 4

HCID 1140TolueneHCID 2743Chrysanthemic AcidHCID 24386Thionyl ChlorideHCID 25135Boron Trichloride

생성물 2

HCID 312ChlorideHCID 2743Chrysanthemic Acid

출처 및 근거

ORD 기록
ord-566f4b56ef6846e6a0372e0f2c96fec6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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