HRID668510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID22499135

tert-Butyl (2-aminopropyl)carbamate

C8H18N2O2

HCID59312932

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)OC(C)(C)C)Nc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

HCID59312986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a1f928feb5d43b9a248cd5b2f88bfdf
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

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