HRID170725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID20767863

6-Hydroxy-N,2-dimethyl-1-benzothiophene-3-carboxamide

C11H11NO2S

HCID22143591

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C5)sc34)ccc12

HCID10456583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af3f6b80e9624ff6aadaf17fae8e1b1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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