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Hydrochloric Acid → 2-[2-(4-Dimethylamino-4-phenylcyclohexylidene)acetylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester

HRID 156316
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반응식

HRID 156316 반응식
[CH3:12][O:13][C:14]([CH:15]([NH2:16])[CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12)=[O:27].[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:36][N:37]([C:38]1([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:39][CH2:40][C:41](=[CH:44][C:45](=[O:46])[OH:47])[CH2:42][CH2:43]1)[CH3:54].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:55]1([N:56]=[C:57]=[N:58][CH:59]2[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[ClH:11].[ClH:35].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[CH3:12][O:13][C:14]([CH:15]([NH:16][C:45]([CH:44]=[C:41]1[CH2:40][CH2:39][C:38]([N:37]([CH3:36])[CH3:54])([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:43][CH2:42]1)=[O:46])[CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12)=[O:27]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 122205Methyl DL-tryptophanateHCID 574382874-Dimethylamino-4-phenylcyclohexylidene-acetic acid

생성물 1

HCID 117202092-[2-(4-Dimethylamino-4-phenylcyclohexylidene)acetylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester

출처 및 근거

ORD 기록
ord-791eac00e8f14ef29507ee96b9b8e606
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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