HRID2123356

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

HCID2795359

4-Morpholinophenylboronic acid

C10H14BNO3

HCID17982641

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(NC1CN2CCC1CC2)c1cc2cc(-c3ccc(N4CCOCC4)cc3)ccc2o1

HCID17982774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dde4faa791aa4734951699a8711f91c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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