HRID1224042

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

HCID8028

Tetrahydrofuran

C4H8O

HCID162362

2-Thiopheneacetyl chloride

C6H5ClOS

反应SMILES：COc1cc[nH]c1C=C1C(=O)Nc2ccc(N)c(-c3ccc4[nH]ccc4c3)c21

HCID54496023

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc[nH]c1C=C1C(=O)Nc2ccc(NC(=O)Cc3cccs3)c(-c3ccc4[nH]ccc4c3)c21

HCID54191000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51b48eb837a94417918f2ab518e5ea1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:38](=[O:39])([OH:40])[O-:41].[NH2:1][c:2]1[c:3](-[c:20]2[cH:21][c:22]3[cH:23][cH:24][nH:25][c:26]3[cH:27][cH:28]2)[c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[nH:14][cH:15][cH:16][c:17]1[O:18][CH3:19].[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48].[s:29]1[c:30]([CH2:34][C:35](=[O:36])[Cl:37])[cH:31][cH:32][cH:33]1>>[NH:1]([c:2]1[c:3](-[c:20]2[cH:21][c:22]3[cH:23][cH:24][nH:25][c:26]3[cH:27][cH:28]2)[c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[nH:14][cH:15][cH:16][c:17]1[O:18][CH3:19])[C:35]([CH2:34][c:30]1[s:29][cH:33][cH:32][cH:31]1)=[O:36]