HRID1570458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID679

Dimethyl sulfoxide

C2H6OS

HCID44674

4-Amino-2-methylhexan-3-ol

C7H17NO

HCID81531

Diisopropylethylamine

C8H19N

HCID11565460

未命名化合物

PRODUCTS

生成物

结构：CCC(Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C

HCID17966260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ca36555e2745b6947ebd71a284da11
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

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