HRID691384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID22181157

tert-Butyl 4-(4-aminophenoxy)piperidine-1-carboxylate

C16H24N2O3

结构：Cn1nc(C(C)(C)C)cc1NC(=O)OCC(Cl)(Cl)Cl

HCID59420872

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID11634218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-190be12736834a88a668ae27dbe57990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][CH:30]([O:33][c:34]2[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]2)[CH2:31][CH2:32]1.[CH3:51][S:52]([CH3:53])=[O:54].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:18][O:19][C:5]([NH:6][c:7]1[n:8]([CH3:16])[n:9][c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)=[O:17].[Cl:55][CH2:56][Cl:57].[OH2:50]>>[C:5]([NH:6][c:7]1[n:8]([CH3:16])[n:9][c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)(=[O:17])[NH:40][c:37]1[cH:36][cH:35][c:34]([O:33][CH:30]2[CH2:29][CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]2)[cH:39][cH:38]1