HRID1128514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8454

N-Methylpyrrolidine

C5H11N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID13791644

6-Bromo-2-phenylquinolin-4(1H)-one

C15H10BrNO

结构：COC(=O)C1CC(OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)OC(C)(C)C

HCID20752709

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(Oc2cc(-c3ccccc3)nc3ccc(Br)cc23)CN1C(=O)OC(C)(C)C

HCID178498490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f392700ab0fc4dfe8200321a53c51b59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:11][CH:12]2[CH2:13][CH:14]([C:24](=[O:25])[O:26][CH3:27])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]2)[cH:9][cH:10]1.[Br:28][c:29]1[cH:30][c:31]2[c:32](=[O:45])[cH:33][c:34](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[nH:35][c:36]2[cH:37][cH:38]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[Cs+:50].[Cs+:51].[OH2:52]>>[O:11]([CH:12]1[CH2:13][CH:14]([C:24](=[O:25])[O:26][CH3:27])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]1)[c:32]1[c:31]2[cH:30][c:29]([Br:28])[cH:38][cH:37][c:36]2[n:35][c:34](-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:33]1