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Methanol → 4-[3-[(4-Phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid

HRID 687660
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HRID 687660 반응식
[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:29][C:30]([c:31]2[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]2)=[O:42])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:14][N:15]=[CH:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]2)[cH:8][cH:9]1)=[O:43].[CH3:44][OH:45].[CH:53]([Cl:54])([Cl:55])[Cl:56].[Li+:51].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:52]>>[O:2]=[C:3]([c:4]1[c:5]([NH:29][C:30]([c:31]2[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]2)=[O:42])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:14][N:15]=[CH:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]2)[cH:8][cH:9]1)[OH:43]
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반응물 6

HCID 887MethanolHCID 961HydroxideHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 90904737Methyl 4-[3-[(4-phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

생성물 1

HCID 72955202
4-[3-[(4-Phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid

출처 및 근거

ORD 기록
ord-affbeae41e9d4aa48449c42a9f332b67
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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