HRID1572731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID123532

1-Bromo-3,6-dioxaheptane

C5H11BrO2

结构：Oc1ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c2c1

HCID59427285

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOc1ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c2c1

HCID59427313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdb63245442f441e9f543ac230b38ef7
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:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[C:37](=[O:38])([O-:39])[O-:40].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33]([OH:36])[cH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[K+:41].[K+:42].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([S:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33]([O:36][CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH3:50])[cH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1