HRID188618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID18374

1,4-Diaminocyclohexane

C6H14N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N1CCN(c2ccc(Nc3nc(S(C)=O)c4cc[nH]c4n3)cc2)CC1

HCID69023141

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Nc3nc(NC4CCC(N)CC4)c4cc[nH]c4n3)cc2)CC1

HCID57990390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-779f9febc6db4b0099f90479d76e4899
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][S:2](=[O:3])[c:4]1[c:5]2[c:6]([n:7][c:8]([NH:10][c:11]3[cH:12][cH:13][c:14]([N:17]4[CH2:18][CH2:19][N:20]([C:23]([CH3:24])=[O:25])[CH2:21][CH2:22]4)[cH:15][cH:16]3)[n:9]1)[nH:26][cH:27][cH:28]2.[CH3:46][S:47]([CH3:48])=[O:49].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[NH2:29][CH:30]1[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]1>>[c:4]1([NH:36][CH:33]2[CH2:32][CH2:31][CH:30]([NH2:29])[CH2:35][CH2:34]2)[c:5]2[c:6]([n:7][c:8]([NH:10][c:11]3[cH:12][cH:13][c:14]([N:17]4[CH2:18][CH2:19][N:20]([C:23]([CH3:24])=[O:25])[CH2:21][CH2:22]4)[cH:15][cH:16]3)[n:9]1)[nH:26][cH:27][cH:28]2