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Hydrochloric Acid → HCID 178522671, 화합물

HRID 1134090
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HRID 1134090 반응식
[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH:1]1([c:7]2[cH:8][c:9](-[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[n:10][n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:33].[NH2:57][c:58]1[n:59][n:60][n:61][nH:62]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:45].[OH2:56].[OH2:68].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH:1]1([c:7]2[cH:8][c:9](-[c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[n:10][n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:19])[NH:57][c:58]3[n:59][n:60][n:61][nH:62]3)[cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962Water3회HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 673350634-({5-Cyclohexyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-1-yl}methyl)benzoic acid
HCID 178509299
HCID 178509299, 화합물

생성물 1

HCID 178522671HCID 178522671, 화합물

출처 및 근거

ORD 기록
ord-884d5c4ed0894b4d87db33ebdc8aaf74
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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