HRID1566401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2776258

2-(bromomethyl)-1,3-benzothiazole

C8H6BrNS

结构：COC(=O)C(C)(C)Cc1c(C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

HCID15229448

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Cc1c(C)c2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Cl)cc1

HCID19027121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-261a72b42a4c45bab71c9fb88ab16e56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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