HRID115175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID19907192

未命名化合物

结构：COc1ncc(C2(Cl)C(=O)Nc3ccc(Cl)cc32)c(OC)n1

HCID57517754

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(C2(N3CC(O)CC3C(=O)N(C)C)C(=O)Nc3ccc(Cl)cc32)c(OC)n1

HCID178494089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-113a926134094b6cabce4bf868017ba9
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

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