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Potassium Cation → Diethyl 2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-4,5-dicarboxylate

HRID 1208160
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HRID 1208160 반응식
[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[n:44]1[n:45][n:46][n:47][c:48]1-[c:49]1[c:50](-[c:55]2[cH:56][cH:57][c:58]([CH2:59][Br:60])[cH:61][cH:62]2)[cH:51][cH:52][cH:53][cH:54]1.[CH2:7]([CH2:8][CH3:9])[c:10]1[nH:11][c:12]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[n:14]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:63][N:64]([CH3:65])[C:66](=[O:67])[CH3:68].[K+:6].[OH2:69]>>[CH2:7]([CH2:8][CH3:9])[c:10]1[n:11][c:12]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[n:14]1[CH2:59][c:58]1[cH:57][cH:56][c:55](-[c:50]2[c:49](-[c:48]3[n:44]([C:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[n:45][n:46][n:47]3)[cH:54][cH:53][cH:52][cH:51]2)[cH:62][cH:61]1
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HCID 813Potassium CationHCID 962WaterHCID 31374DimethylacetamideHCID 45749132-Methylpropan-2-olateHCID 100534615-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetraazoleHCID 102860151H-Imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-diethyl ester

생성물 1

HCID 19036089
Diethyl 2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-4,5-dicarboxylate

출처 및 근거

ORD 기록
ord-9ecbde7116014228a5d72281d21a5c83
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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