HRID1544704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID66970

Ethanamine, 2-ethoxy-

C4H11NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1nc(Cl)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID23130498

未命名化合物

PRODUCTS

生成物

结构：CCOCCNc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1

HCID23130370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47ec71c7fb2e4edd8b0ee06c2d876040
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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