HRID154051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID245494

Methyl 2-bromo-5-nitrobenzoate

C8H6BrNO4

HCID14555209

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccc(C)c(C)c2)cc1

HCID54139914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6879e5540c049fd95abd7ea470f7518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:18][O:19][C:20]([c:21]1[c:22]([Br:30])[cH:23][cH:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]1)=[O:31].[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[CH3:8].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cs+:36].[Cs+:37]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([NH:17][c:22]3[c:21]([C:20]([O:19][CH3:18])=[O:31])[cH:26][c:25]([N+:27](=[O:28])[O-:29])[cH:24][cH:23]3)[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[CH3:8]