Acetic Acid → Methyl 3-(4,6-bis(trichloromethyl)-s-triazin-2-yl)cinnamate

반응식

[C:27]([OH:28])(=[O:29])[CH3:30].[Cl:1][C:2]([c:3]1[n:4][c:5](-[c:13]2[cH:14][c:15]([CH:16]=[CH:17][C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]2)[n:6][c:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[n:8]1)([Cl:24])[Cl:25].[OH2:26]>>[Cl:1][C:2]([c:3]1[n:4][c:5](-[c:13]2[cH:14][c:15]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH3:27])[cH:21][cH:22][cH:23]2)[n:6][c:7]([C:9]([Cl:10])([Cl:11])[Cl:12])[n:8]1)([Cl:24])[Cl:25]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 962Water

HCID 572491983-[3-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]prop-2-enoic acid

생성물 1

HCID 57080114Methyl 3-(4,6-bis(trichloromethyl)-s-triazin-2-yl)cinnamate

출처 및 근거

ORD 기록: ord-02b8b592a3b74e0b8a4cb63353ec71a1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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