1,4-Dioxane → 1-[(2-Ethoxycarbonyl-acetyl)-(4-fluoro-benzyl)-amino]-6-trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester

HRID 114281

반응식

HRID 114281 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([NH:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[c:8]2[cH:9][c:10]([C:15]([F:16])([F:17])[F:18])[cH:11][cH:12][c:13]2[cH:14]1.[CH2:28]([CH3:29])[O:30][C:31]([CH2:32][C:33](=[O:34])[Cl:35])=[O:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([N:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[C:33]([CH2:32][C:31]([O:30][CH2:28][CH3:29])=[O:36])=[O:34])[c:8]2[cH:9][c:10]([C:15]([F:16])([F:17])[F:18])[cH:11][cH:12][c:13]2[cH:14]1

참가 물질

4

반응물 3

HCID 312751,4-DioxaneHCID 118931Ethyl 3-chloro-3-oxopropionateHCID 672303031-(4-fluoro-benzylamino)-6-trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester

생성물 1

HCID 672304801-[(2-Ethoxycarbonyl-acetyl)-(4-fluoro-benzyl)-amino]-6-trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-1f0a5bb05dc7476699dd24a07a324c8d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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