HRID288180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID12801384

未命名化合物

HCID17954009

未命名化合物

PRODUCTS

生成物

结构：CCC(O)C(CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

HCID69095464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba5eeb33ecf243639de80c62d25ee542
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[c:10]2[n:11][cH:12][n:13]([CH:19]([CH3:20])[CH3:21])[c:14]2[n:15][c:16]([F:18])[n:17]1.[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[CH3:47][S:48]([CH3:49])=[O:50].[CH3:51][OH:52].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:39][CH2:40][Cl:41].[NH2:31][CH:32]([CH:33]([CH2:34][CH3:35])[OH:36])[CH2:37][CH3:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][c:9]1[c:10]2[n:11][cH:12][n:13]([CH:19]([CH3:20])[CH3:21])[c:14]2[n:15][c:16]([NH:31][CH:32]([CH:33]([CH2:34][CH3:35])[OH:36])[CH2:37][CH3:38])[n:17]1