HRID194647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID20707

Benzoxazol-2-amine

C7H6N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID67413810

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2ccccc2o1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

HCID46234314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4765f2eb83440d0aac250c19f1929bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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