HRID110643

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-

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID19838781

1-(Aminooxy)propan-2-ol

C3H9NO2

HCID59565188

未命名化合物

PRODUCTS

生成物

结构：CC(O)CONC(=O)c1ccn2cncc2c1Nc1ccc(Br)cc1F

HCID178473551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e68900a2fe84547915b2b57ea693859
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([NH:14][c:15]2[c:16]([F:22])[cH:17][c:18]([Br:21])[cH:19][cH:20]2)[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2.[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[ClH:46].[NH2:47][O:48][CH2:49][CH:50]([CH3:51])[OH:52].[Na+:24].[OH-:23].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[C:3](=[O:4])([c:5]1[c:6]([NH:14][c:15]2[c:16]([F:22])[cH:17][c:18]([Br:21])[cH:19][cH:20]2)[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2)[NH:47][O:48][CH2:49][CH:50]([CH3:51])[OH:52]