HRID2137532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID21081496

未命名化合物

HCID21081679

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OC(=O)C(C)(C)C)cn2ncnc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c12

HCID11613492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3d12e4e14994203b63a21052f8eb996
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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