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Water → ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

HRID 667900
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HRID 667900 반응식
[C:49]([CH:50]=[O:51])(=[O:52])[O:53][CH2:54][CH3:55].[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][CH2:9][NH2:10])[n:7]1.[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:48]>>[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:24]4[n:25][n:26][n:27][n:28]4[C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][NH:10][CH:50]2[C:49](=[O:52])[O:53][CH2:54][CH3:55]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 962WaterHCID 8028TetrahydrofuranHCID 70211Ethyl oxoacetateHCID 199329792-Ethyl-4-(2-aminoethyl)-1-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methylimidazole

생성물 1

HCID 19932986ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

출처 및 근거

ORD 기록
ord-16e2c098023c4d359382cef605974a15
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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