HRID101196

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

HCID21455072

1-Propanol, 3-(dimethylamino)-, 1-(4-methylbenzenesulfonate)

C12H19NO3S

结构：NC(=O)c1sc(-n2cnc3ccc(O)cc32)nc1-c1cccc(Cl)c1

HCID67445498

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCOc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1

HCID46831482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4cc9c4996b4efa820c9cbc27cb2c46
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:43](=[O:44])([O-:45])[O-:46].[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][O:31][S:32]([c:33]1[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]1)(=[O:40])=[O:41])[CH3:42].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([OH:25])[cH:23][cH:24]4)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1.[Cs+:47].[Cs+:48]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([O:25][CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:42])[cH:23][cH:24]4)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1