HRID123203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID2774089

2,2-Difluoroethyl triflate

C3H3F5O3S

反应SMILES：CC(C)C(=O)Oc1c(-c2c(C(F)(F)F)nn(C)c2OC(F)F)c(=O)[nH]c2nccnc12

HCID66850414

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(=O)Oc1c(-c2c(C(F)(F)F)nn(C)c2OC(F)F)c(=O)n(CC(F)F)c2nccnc12

HCID44129699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73f9a83d02244e218ce281971394d5ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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