Toluene → HCID 20546750, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 783922,6-Dichlorobenzoyl chloride

HCID 107744567-Trifluoromethyl-benzo[d]isoxazol-3-ylamine

생성물 1

HCID 20546750HCID 20546750, 화합물

출처 및 근거

ORD 기록: ord-25e8647b131a467ebd70ea9f4f1fff9e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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