HRID168293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID70323

Cyclopropanecarboxylic acid, 2-phenyl-

C10H10O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22135568

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NCC2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1

HCID22135588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-402c016af3054eea809292dce72a18ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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