HRID1150725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2784735

3-(5-Bromopyridin-3-yl)prop-2-enoic acid

C8H6BrNO2

HCID19792765

5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-1-methyl-3-pyrazolidinone

C16H22N2O3

PRODUCTS

生成物

结构：COc1ccc(C2CC(=O)N(C(=O)C=Cc3cncc(Br)c3)N2C)cc1OC1CCCC1

HCID54334585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5193dd54b74473d9f75dd4a3b9fb6ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:24][c:25]1[cH:26][c:27]([CH:31]=[CH:32][C:33](=[O:34])[OH:35])[cH:28][n:29][cH:30]1.[CH2:57]([Cl:58])[Cl:59].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH:36]1([O:41][c:42]2[cH:43][c:44]([CH:50]3[CH2:51][C:52](=[O:56])[NH:53][N:54]3[CH3:55])[cH:45][cH:46][c:47]2[O:48][CH3:49])[CH2:37][CH2:38][CH2:39][CH2:40]1.[ClH:1].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[Br:24][c:25]1[cH:26][c:27]([CH:31]=[CH:32][C:33](=[O:35])[N:53]2[C:52](=[O:56])[CH2:51][CH:50]([c:44]3[cH:43][c:42]([O:41][CH:36]4[CH2:37][CH2:38][CH2:39][CH2:40]4)[c:47]([O:48][CH3:49])[cH:46][cH:45]3)[N:54]2[CH3:55])[cH:28][n:29][cH:30]1