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Ethanol → 3-{[(4-{[1-(5-chloro-1-methyl-1H-indol-2-yl)heptyl]amino}phenyl)carbonyl]amino}propanoic acid

HRID 140454
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인쇄 미리보기

반응식

HRID 140454 반응식
[CH3:43][CH2:44][OH:45].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:24][cH:25]3)[n:7]([CH3:11])[c:8]2[cH:9][cH:10]1.[Na+:42].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:41]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:24][cH:25]3)[n:7]([CH3:11])[c:8]2[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66778416ethyl 3-{[(4-{[1-(5-chloro-1-methyl-1H-indol-2-yl)heptyl]amino}phenyl)carbonyl]amino}propanoate

생성물 1

HCID 686289203-{[(4-{[1-(5-chloro-1-methyl-1H-indol-2-yl)heptyl]amino}phenyl)carbonyl]amino}propanoic acid

출처 및 근거

ORD 기록
ord-07222381ae0348178d409127f8f1345d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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