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Hydrochloric Acid → Ethyl 3-{[(4-{[cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}phenyl)carbonyl](methyl)amino}propanoate

HRID 110572
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HRID 110572 반응식
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:29][NH:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:49].[ClH:61].[OH2:38].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][cH:15][c:16]([F:18])[cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:26])[N:30]([CH3:29])[CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 541480Ethyl 3-(methylamino)propanoate
HCID 66778019
4-{[Cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}benzoic acid

생성물 1

HCID 66777746Ethyl 3-{[(4-{[cyclohexyl(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]amino}phenyl)carbonyl](methyl)amino}propanoate

출처 및 근거

ORD 기록
ord-e2b770a436764afe84d62c4adda7cbd0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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