HRID1232469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4192667

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C10H15BN2O2

HCID17982641

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CN2CCC1CC2)c1cc2cc(-c3cncnc3)ccc2o1

HCID17982839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6c0910ef3e74e8c9a5426bd26167676
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11][cH:12][n:13][cH:14]2)[O:15]1.[ClH:18].[N:19]12[CH2:20][CH:21]([NH:27][C:28](=[O:29])[c:30]3[o:31][c:32]4[c:33]([cH:34]3)[cH:35][c:36]([Br:39])[cH:37][cH:38]4)[CH:22]([CH2:23][CH2:24]1)[CH2:25][CH2:26]2.[Na+:17].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH-:16]>>[ClH:18].[c:9]1(-[c:36]2[cH:35][c:33]3[c:32]([o:31][c:30]([C:28]([NH:27][CH:21]4[CH2:20][N:19]5[CH2:24][CH2:23][CH:22]4[CH2:25][CH2:26]5)=[O:29])[cH:34]3)[cH:38][cH:37]2)[cH:10][n:11][cH:12][n:13][cH:14]1