HRID1152911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID263

1-Butanol

C4H10O

HCID702

Ethanol

C2H6O

HCID11858

Ethyl 2-chloroacetoacetate

C6H9ClO3

HCID14817

Phosphorus pentasulfide

P4S10

HCID76959

P-METHYOXYBENZAMIDE

C8H9NO2

HCID7540952

ethyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C14H15NO3S

PRODUCTS

生成物

HCID3068075

5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-

C12H12N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b25acdd49d449c0a435b34cdd39cd3f
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

[CH2:56]([OH:57])[CH2:58][CH2:59][CH3:60].[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[NH2:29])[cH:30][cH:31]1.[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[s:11][c:12]([C:16]([O:18][CH2:17][CH3:19])=[O:20])[c:13]([CH3:15])[n:14]2)[cH:8][cH:9]1.[CH3:61][CH2:62][OH:63].[Cl:32][CH:33]([C:34]([CH3:35])=[O:36])[C:37]([O:38][CH2:39][CH3:40])=[O:41].[NH3:1].[P:42]12(=[S:55])[S:43][P:44]3(=[S:54])[S:45][P:46](=[S:52])([S:47][P:48](=[S:51])([S:49]3)[S:50]1)[S:53]2>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[s:11][c:12]([C:16](=[O:18])[NH2:29])[c:13]([CH3:15])[n:14]2)[cH:8][cH:9]1