HRID1113629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6456

Trityl chloride

C19H15Cl

HCID8471

Triethylamine

C6H15N

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

HCID178467362

未命名化合物

PRODUCTS

生成物

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

HCID10312563

Trityl candesartan

C43H34N6O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4078c554746d4b9a9c78a73fa75df389
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[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][nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][cH:30]2.[CH2:62]([Cl:63])[Cl:64].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:66][OH:67].[ClH:61].[OH2:65].[c:41]1([C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[Cl:60])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[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:47]([c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]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:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:27]([C:31](=[O:32])[OH:33])[cH:28][cH:29][cH:30]2