HRID161922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

结构：CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID10076748

Telmisartan tert-butyl ester

C37H38N4O2

PRODUCTS

生成物

结构：CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

HCID65999

Telmisartan

C33H30N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcaee79e6357468f85aa94f41a04906b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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