Acetonitrile → 6-iodo-N-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamic acid

반응식

[CH3:13][c:14]1[c:15]([NH2:16])[cH:17][cH:18][c:19]([C:21]([C:22]([F:23])([F:24])[F:25])([C:26]([F:27])([F:28])[F:29])[F:30])[cH:20]1.[CH3:31][C:32]#[N:33].[I:1][c:2]1[c:3]2[c:4]([cH:10][cH:11][cH:12]1)[C:5](=[O:6])[O:7][C:8]2=[O:9]>>[I:1][c:2]1[c:3]([C:8]([OH:7])=[O:9])[c:4]([C:5](=[O:6])[NH:16][c:15]2[c:14]([CH3:13])[cH:20][c:19]([C:21]([C:22]([F:23])([F:24])[F:25])([C:26]([F:27])([F:28])[F:29])[F:30])[cH:18][cH:17]2)[cH:10][cH:11][cH:12]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 2820713-Iodophthalic anhydride

HCID 99255434-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylaniline

생성물 1

HCID 120543996-iodo-N-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamic acid

출처 및 근거

ORD 기록: ord-4c7e3fec4a8a4584b3539a8db51d88f9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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