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Hydrochloric Acid → HCID 178485560, 화합물

HRID 2349476
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HRID 2349476 반응식
[CH2:18]([P:19]([OH:20])(=[O:21])[OH:22])[CH2:23][CH3:24].[CH3:26][N:27]([C:28](=[O:29])[c:30]1[n:31][c:32]([CH:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[s:33][cH:34]1)[CH:41]1[CH2:42][CH2:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]21.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:25].[F:1][C:2]([c:3]1[n:4][n:5]([CH2:12][C:13](=[O:14])[OH:15])[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:16])[F:17]>>[F:1][C:2]([c:3]1[n:4][n:5]([CH2:12][C:13](=[O:15])[N:38]2[CH2:37][CH2:36][CH:35]([c:32]3[n:31][c:30]([C:28]([N:27]([CH3:26])[CH:41]4[CH2:42][CH2:43][CH2:44][c:45]5[cH:46][cH:47][cH:48][cH:49][c:50]54)=[O:29])[cH:34][s:33]3)[CH2:40][CH2:39]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:16])[F:17]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 204484Propylphosphonic acidHCID 69175811N-methyl-2-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamideHCID 866474523,5-bis-(trifluoromethyl)-1H-pyrazole-1-acetic acid

생성물 1

HCID 178485560
HCID 178485560, 화합물

출처 및 근거

ORD 기록
ord-b9467483bca44500a1a8b382115c2c8f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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