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Acetone → Methyl 4-[3-[(4-phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

HRID 293459
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HRID 293459 반응식
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)=[O:28])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][Br:14])[cH:8][cH:9]1)=[O:29].[CH3:51][C:52](=[O:53])[CH3:54].[Cs+:49].[Cs+:50].[c:30]1(-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:31][cH:32][c:33]([CH:36]=[N:37][OH:38])[cH:34][cH:35]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)=[O:28])[cH:6][c:7]([O:10][CH2:11][CH2:12][CH2:13][O:38][N:37]=[CH:36][c:33]2[cH:32][cH:31][c:30](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:35][cH:34]2)[cH:8][cH:9]1)=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 2615464-PhenylbenzaldoximeHCID 692101914-(3-Bromo-propoxy)-2-(4-trifluoromethoxy-benzoylamino)-benzoic acid methyl ester

생성물 1

HCID 90904737
Methyl 4-[3-[(4-phenylphenyl)methylideneamino]oxypropoxy]-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

출처 및 근거

ORD 기록
ord-fca52e7a819d4447ae176ecb0e2b40e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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