HRID110770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81503

Bromomethylcyclopropane

C4H7Br

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCNCC1

HCID57979867

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(CC2CC2)CC1

HCID57979845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3213706ab4e246959adcd9ddd1893f9a
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

[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:10]1([CH2:13][Br:14])[CH2:11][CH2:12]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:16][c:17]1[c:18]([F:48])[c:19]([NH:23][c:24]2[n:25][cH:26][n:27][c:28]3[cH:29][c:30]([O:46][CH3:47])[c:31]([CH2:34][N:35]([C:36]4([C:42](=[O:43])[NH2:44])[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]4)[CH3:45])[cH:32][c:33]23)[cH:20][cH:21][cH:22]1.[ClH:15]>>[CH:10]1([CH2:13][N:39]2[CH2:38][CH2:37][C:36]([N:35]([CH2:34][c:31]3[c:30]([O:46][CH3:47])[cH:29][c:28]4[n:27][cH:26][n:25][c:24]([NH:23][c:19]5[c:18]([F:48])[c:17]([Cl:16])[cH:22][cH:21][cH:20]5)[c:33]4[cH:32]3)[CH3:45])([C:42](=[O:43])[NH2:44])[CH2:41][CH2:40]2)[CH2:11][CH2:12]1