HRID1209766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID8110

Butyl isocyanate

C5H9NO

HCID8471

Triethylamine

C6H15N

结构：O=C1c2ccc(C(F)(F)F)cc2C(O)N1c1ccc2ccc(Cl)nc2n1

HCID22754713

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)OC1c2cc(C(F)(F)F)ccc2C(=O)N1c1ccc2ccc(Cl)nc2n1

HCID22754759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3736a3b53b7f4c398cee1f1fb84161b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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