HRID1152848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID16249

2,2-Dimethyl-1,3-dioxane-4,6-dione

C6H8O4

结构：O=C(O)c1oc(=O)c2ccc(Br)cc2c1-c1ccccc1

HCID23060777

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1oc(=O)c2ccc(Br)cc2c1-c1ccccc1

HCID23060529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08c46ee5817b4374abe26a9777f417f4
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][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13](=[O:14])[OH:15])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1.[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:22][C:23]1([CH3:24])[O:25][C:26](=[O:27])[CH2:28][C:29](=[O:30])[O:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[Cl:59][CH2:60][Cl:61]>>[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13](=[O:14])[CH3:22])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1