HRID826755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10011903

2-(piperidin-4-yl)acetonitrile

C7H12N2

结构：COc1cc(C)c(-n2cc(C)c3c(OS(=O)(=O)C(F)(F)F)cc(C)nc32)c(C)c1

HCID59843342

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(-n2cc(C)c3c(N4CCC(CC#N)CC4)cc(C)nc32)c(C)c1

HCID67103732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f1459e2924b4baf8f62e7a0f6dc5f19
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:29])[c:6](-[n:10]2[cH:11][c:12]([CH3:28])[c:13]3[c:14]2[n:15][c:16]([CH3:27])[cH:17][c:18]3[O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:7]([CH3:9])[cH:8]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH:39]1[CH2:40][CH2:41][CH:42]([CH2:45][C:46]#[N:47])[CH2:43][CH2:44]1.[OH2:54]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:29])[c:6](-[n:10]2[cH:11][c:12]([CH3:28])[c:13]3[c:14]2[n:15][c:16]([CH3:27])[cH:17][c:18]3[N:39]2[CH2:40][CH2:41][CH:42]([CH2:45][C:46]#[N:47])[CH2:43][CH2:44]2)[c:7]([CH3:9])[cH:8]1