HRID1150138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Cc1ccc(Br)cc1)N1C(=O)OCC1Cc1ccccc1

HCID21893498

未命名化合物

HCID59564912

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C(C(=O)N2C(=O)OCC2Cc2ccccc2)c2ccc(Br)cc2)CCC1(C)C

HCID77546256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-098ba5c7795b4d46988a5e2772f0f4ee
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

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