HRID292329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8082

Piperidine

C5H11N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1N

HCID57567320

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1C

HCID57567334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ffb6698230c4d5a9bdf1182c4407312
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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