HRID680577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID6341

Ethanamine

C2H7N

结构：CCOC(=O)c1cc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID24774040

Ethyl 5-[2,4-bis(benzyloxy)-5-chlorophenyl]-1,2-oxazole-3-carboxylate

C26H22ClNO5

PRODUCTS

生成物

结构：CCNC(=O)c1cc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID24774041

5-[2,4-Bis(benzyloxy)-5-chlorophenyl]-N-ethyl-1,2-oxazole-3-carboxamide

C26H23ClN2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33e16658a0d84859b7dba968e2ab597b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:6]([O:8][C:9](=[O:7])[c:11]1[n:12][o:13][c:14](-[c:16]2[c:17]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:18][c:19]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:20]([Cl:22])[cH:21]2)[cH:15]1)[CH3:10].[CH3:1][CH2:2][NH2:3].[CH3:39][CH2:40][OH:41].[CH3:4][OH:5]>>[CH3:1][CH2:2][NH:3][C:9](=[O:8])[c:11]1[n:12][o:13][c:14](-[c:16]2[c:17]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:18][c:19]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:20]([Cl:22])[cH:21]2)[cH:15]1