HRID1123750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

HCID2760591

tert-Butyl {[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate

C18H28BNO4

HCID42281383

7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

C6H5BrN4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(-c2ccc3c(N)ncnn23)c1

HCID71134144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0d3b5286bb04b65b070a2f1744c0342
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:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([NH2:35])[n:31][cH:32][n:33][n:34]12.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11]([B:15]2[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]2)[cH:12][cH:13][cH:14]1)=[O:24].[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cl:36][CH2:37][Cl:38].[Na+:43].[Na+:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:26]2[cH:27][cH:28][c:29]3[c:30]([NH2:35])[n:31][cH:32][n:33][n:34]23)[cH:12][cH:13][cH:14]1)=[O:24]