Acetic Acid → HCID 178437628, 화합물

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 19036080Pivaloyloxymethyl 2-ethyl-4-(1-hydroxy-1-methylethyl)-1-{4-[2-(trityltetrazole-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

생성물 1

HCID 178437628HCID 178437628, 화합물

출처 및 근거

ORD 기록: ord-edde1881278a40b1942de0719a7d00c8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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