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Hydrochloric Acid → ethyl 6-chloro-7-(4-((2,3-dihydro-1H-inden-2-yl)methylcarbamoyl)phenoxy)chroman-4-carboxylate

HRID 2161967
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HRID 2161967 반응식
[CH2:28]1[CH:29]([CH2:37][NH2:38])[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21.[CH2:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH:44]([CH3:45])[CH3:46])[CH3:47].[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26].[Cl:70][CH2:71][Cl:72].[ClH:27].[ClH:48].[OH:60][n:61]1[c:62]2[n:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:19])[NH:38][CH2:37][CH:29]3[CH2:28][c:36]4[c:31]([cH:32][cH:33][cH:34][cH:35]4)[CH2:30]3)[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 22346315(2,3-Dihydro-1H-inden-2-yl)methanamineHCID 582443954-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid

생성물 1

HCID 67166984ethyl 6-chloro-7-(4-((2,3-dihydro-1H-inden-2-yl)methylcarbamoyl)phenoxy)chroman-4-carboxylate

출처 및 근거

ORD 기록
ord-d81e44834a644604a9561d468b910a1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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