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

HRID 1549791
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HRID 1549791 반응식
[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl-:47].[Cl:1][CH:2]([c:3]1[c:4]([CH3:14])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([O:12][CH3:13])[cH:11]2)[CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1.[I-:40].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[cH:26][cH:27]1.[NH4+:48].[Na+:39].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[CH:2]([c:3]1[c:4]([CH3:14])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([O:12][CH3:13])[cH:11]2)([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[NH:21][c:22]1[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[cH:26][cH:27]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium Ion3회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 46941342Ethyl 3-{[(4-aminophenyl)carbonyl](methyl)amino}propanoate
HCID 66777201
3-[Chloro(cyclohexyl)methyl]-6-methoxy-2-methyl-1-benzofuran

생성물 1

HCID 66778831Ethyl 3-{[(4-{[cyclohexyl(6-methoxy-2-methyl-1-benzofuran-3-yl)methyl]amino}phenyl)carbonyl](methyl)amino}propanoate

출처 및 근거

ORD 기록
ord-47a01fe8d2504f2388e997305c39c97a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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