Acetic Acid → Ethyl 2-butyl-4-(1-hydroxyethyl)-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 19036150Ethyl 2-butyl-4-(1-hydroxyethyl)-1-{4-[-2-(trityltetrazol-5yl)phenyl]phenyl}methylimidazole-5-carboxylate

생성물 1

HCID 178441658Ethyl 2-butyl-4-(1-hydroxyethyl)-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

출처 및 근거

ORD 기록: ord-33854b0887d24b5ea315ab0d7f911714
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…