HRID290369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID11565460

未命名化合物

HCID12801384

未命名化合物

PRODUCTS

生成物

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

HCID178459111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67b806e3fc2447038bb5b3c5e430cbbd
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

[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH3:44][S:45]([CH3:46])=[O:47].[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]([CH2:34][CH3:35])[OH:36])[CH2:37][CH3:38]>>[c:2]1([NH:31][CH:32]([CH:33]([CH2:34][CH3:35])[OH:36])[CH2:37][CH3:38])[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