HRID295560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID11029254

Trityl candesartan cilexetil

C52H48N6O6

PRODUCTS

生成物

结构：CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178467377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f87b63fe7c3941198f8bc150249675a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:66](=[O:67])([O-:68])[OH:69].[CH2:1]([CH3:2])[O: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]4[n:23][n:24][n:25][n:26]4[C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][CH:53]([CH3:54])[O:55][C:56](=[O:57])[O:58][CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[cH:47][cH:48][cH:49]2.[CH2:73]([Cl:74])[Cl:75].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:83][OH:84].[Cl-:71].[ClH:65].[Na+:70].[Na+:72].[OH2:76]>>[CH2:1]([CH3:2])[O: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]4[nH:23][n:24][n:25][n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][CH:53]([CH3:54])[O:55][C:56](=[O:57])[O:58][CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[cH:47][cH:48][cH:49]2