HRID1146249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID11219601

Methyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C15H21BO4

结构：COC(=O)Cc1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1

HCID66699783

未命名化合物

PRODUCTS

生成物

结构：O=C(O)Cc1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1

HCID24983905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43cc344d28184b6a9e678e9709d511b3
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

[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][cH:39][c:40]([CH2:41][C:42]([O:43][CH3:44])=[O:45])[cH:46][cH:47]2)[O:48]1.[CH:1]1([CH2:7][n:8]2[c:9](=[O:28])[nH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:21][cH:22]4)[n:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:54].[K+:55].[K+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[CH:1]1([CH2:7][n:8]2[c:9](=[O:28])[nH:10][c:11]3[n:12][cH:13][c:14](-[c:17]4[cH:18][cH:19][c:20]([CH2:23][C:24](=[O:25])[OH:26])[cH:21][cH:22]4)[n:15][c:16]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1