HRID188150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID123064

3-Fluorophenyl isocyanate

C7H4FNO

HCID57619278

未命名化合物

PRODUCTS

产物

HCID68803259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e4ab8b52d05047e6982ce014805dd5b4
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

[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:45][C:46]#[N:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[F:27][c:28]1[cH:29][c:30]([N:34]=[C:35]=[O:36])[cH:31][cH:32][cH:33]1.[OH2:44].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH2:26])[n:24][cH:25]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH:26][C:35]([NH:34][c:30]4[cH:29][c:28]([F:27])[cH:33][cH:32][cH:31]4)=[O:36])[n:24][cH:25]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1