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Acetic Acid → 5-[4-(7-Chlorobenzo[1,3]dioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidenamino]quinoline-2-carboxylic acid methyl ester

HRID 1223696
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반응식

HRID 1223696 반응식
[CH3:23][O:24][C:25](=[O:26])[c:27]1[n:28][c:29]2[cH:30][cH:31][cH:32][c:33]([NH2:37])[c:34]2[cH:35][cH:36]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:11]([CH2:12][C:13]([CH:14]=[O:15])([C:16]([F:17])([F:18])[F:19])[OH:20])([CH3:21])[CH3:22])[c:6]2[c:7]1[O:8][CH2:9][O:10]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:11]([CH2:12][C:13]([CH:14]=[N:37][c:33]2[cH:32][cH:31][cH:30][c:29]3[n:28][c:27]([C:25]([O:24][CH3:23])=[O:26])[cH:36][cH:35][c:34]32)([C:16]([F:17])([F:18])[F:19])[OH:20])([CH3:21])[CH3:22])[c:6]2[c:7]1[O:8][CH2:9][O:10]2
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참가 물질

5

반응물 4

HCID 176Acetic AcidHCID 1140TolueneHCID 219488374-(7-Chlorobenzo[1,3]dioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalHCID 45089604Methyl 5-aminoquinoline-2-carboxylate

생성물 1

HCID 692042455-[4-(7-Chlorobenzo[1,3]dioxol-4-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidenamino]quinoline-2-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-29bb4aad3e3b4f04af693990abc337b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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