HRID205294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1

HCID59333498

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(NCCN(C)C)n(CC3CC3)c2n1

HCID59333652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4552a5d906e44198a7f7a8e5ed397af6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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