HRID104911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID59312932

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

HCID59312979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-131bdd8c37a74697a7e21d6a9e7ad68a
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

[C:19](=[O:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[NH:26][CH2:27][CH2:28][NH2:29].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][S:46]([CH3:47])=[O:48].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[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.[OH2:49]>>[c:2]1([NH:29][CH2:28][CH2:27][NH:26][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[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