HRID321441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID593813

2,4,5-Trifluorobenzonitrile

C7H2F3N

HCID4574913

未命名化合物

HCID23549129

未命名化合物

PRODUCTS

产物

HCID59556309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1128e957ee5745f19ff9f0f364b86a6f
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

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