HRID87534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID236969

4-(chloromethyl)-2-phenyl-1,3-thiazole

C10H8ClNS

HCID178496105

未命名化合物

PRODUCTS

产物

HCID21949084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-159f6f9999b741459c481e3e36881fd6
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:24](=[O:25])([OH:26])[O-:27].[Cl:29][CH2:30][c:31]1[n:32][c:33](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[s:34][cH:35]1.[NH2:1][c:2]1[n:3][c:4]([SH:23])[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[Na+:28].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[NH2:1][c:2]1[n:3][c:4]([S:23][CH2:30][c:31]2[n:32][c:33](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[s:34][cH:35]2)[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]