HRID90808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)OC(C)(C)C)c2)s1

HCID10272036

5-[2-(tert-butoxycarbonylamino)-4-pyridyl]-2-ethyl-4-(3-methylphenyl)-1,3-thiazole

C22H25N3O2S

结构：Cc1cccc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)c1

HCID11616830

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N)c2)s1

HCID9857349

4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine

C17H17N3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f335d9e12c469aa3d971d062fd366b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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