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Acetic Acid → Ethyl 4-{3-[4-(4-ethylphenyl)methylamino-3-hydroxybenzoyl)indol-1-yl}butanoate

HRID 296376
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인쇄 미리보기

반응식

HRID 296376 반응식
[C:40]([BH3-:41])#[N:42].[CH2:30]([CH3:31])[c:32]1[cH:33][cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1.[CH3:28][OH:29].[CH3:45][C:46](=[O:47])[OH:48].[NH2:1][c:2]1[c:3]([OH:27])[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1.[Na+:43].[OH2:44]>>[NH:1]([c:2]1[c:3]([OH:27])[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1)[CH2:36][c:35]1[cH:34][cH:33][c:32]([CH2:30][CH3:31])[cH:39][cH:38]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 208614-EthylbenzaldehydeHCID 498716Cyano-borohydrideHCID 21197991Ethyl 4-[3-(4-amino-3-hydroxybenzoyl)indol-1-yl]butanoate

생성물 1

HCID 21197979
Ethyl 4-{3-[4-(4-ethylphenyl)methylamino-3-hydroxybenzoyl)indol-1-yl}butanoate

출처 및 근거

ORD 기록
ord-b4ce37bce6a7435fbf791b979d3e4ad5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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