HRID87194

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

HCID57517758

未命名化合物

PRODUCTS

生成物

结构：COc1ncccc1C1(N2CC(O)CC2C(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21

HCID178494109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e81998062cf444f9ab1caeb7fdb0add3
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

[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]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:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:13][C:14]1([c:25]2[c:26]([O:31][CH3:32])[n:27][cH:28][cH: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:47][CH2:48][Cl:49].[ClH:1].[OH2:50]>>[CH3:2][N:3]([C:4](=[O:5])[CH:6]1[N:7]([C:14]2([c:25]3[c:26]([O:31][CH3:32])[n:27][cH:28][cH: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]