HRID181994

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

HCID12801394

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)C

HCID17966266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1fefe89efba44f2bca66c79b63f5c99
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

[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH3:46][S:47]([CH3:48])=[O:49].[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]([C:34]([CH3:35])([CH3:36])[CH3:37])[OH:38])[CH2:39][CH3:40]>>[c:2]1([NH:31][CH:32]([CH:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[OH:38])[CH2:39][CH3:40])[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