HRID685314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

结构：FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876162

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID24967634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba845fa944fb424d8ab96a99ec51a39c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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