HRID669605

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

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

结构：CN(C)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID2758503

N-[2-(Dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C17H27BN2O3

HCID67388377

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNC(=O)c1ccc(-c2cnc(N)c(-c3nc4ncccc4o3)c2)cc1

HCID67388516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0678e977e6884327a41d04cabc417e85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:28][c:29]1[cH:30][c:31](-[c:36]2[o:37][c:38]3[c:39]([n:40][cH:41][cH:42][cH:43]3)[n:44]2)[c:32]([NH2:35])[n:33][cH:34]1.[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:45][N:46]([CH2:47][CH2:48][NH:49][C:50]([c:51]1[cH:52][cH:53][c:54]([B:57]2[O:58][C:59]([CH3:60])([CH3:61])[C:62]([CH3:63])([CH3:64])[O:65]2)[cH:55][cH:56]1)=[O:66])[CH3:67].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[K+:25].[K+:26].[K+:27].[OH2:74].[P:20]([O-:21])([O-:22])([O-:23])=[O:24]>>[c:29]1(-[c:54]2[cH:53][cH:52][c:51]([C:50]([NH:49][CH2:48][CH2:47][N:46]([CH3:45])[CH3:67])=[O:66])[cH:56][cH:55]2)[cH:30][c:31](-[c:36]2[o:37][c:38]3[c:39]([n:40][cH:41][cH:42][cH:43]3)[n:44]2)[c:32]([NH2:35])[n:33][cH:34]1