HRID205934

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

HCID17946

Methyl 3-chlorobenzoate

C8H7ClO2

HCID61668

Boronic acid

H3BO2

结构：CCn1c(=O)c(Br)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

HCID66760454

6-Bromo-8-ethyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one

C20H23BrN6O

PRODUCTS

生成物

结构：CCn1c(=O)c(-c2ccc(C(=O)OC)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

HCID67119600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6533e01d9114412bfb4bfa94fce4e6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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