HRID148341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID346455

4-Amino-2-bromopyridine

C5H5BrN2

结构：CC1CN(c2ccc(C#N)c(C(F)(F)F)c2)C(C)CN1

HCID15516096

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(C#N)c(C(F)(F)F)c2)C(C)CN1C(=O)Nc1ccnc(Br)c1

HCID178429913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8854ad4c9bc4d2bb57ef2b81bb5fcc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:19][CH:20]1[N:21]([c:27]2[cH:28][c:29]([C:35]([F:36])([F:37])[F:38])[c:30]([C:31]#[N:32])[cH:33][cH:34]2)[CH2:22][CH:23]([CH3:26])[NH:24][CH2:25]1.[Cl:9][C:10](=[O:11])[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[NH2:1][c:2]1[cH:3][c:4]([Br:8])[n:5][cH:6][cH:7]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[NH:1]([c:2]1[cH:3][c:4]([Br:8])[n:5][cH:6][cH:7]1)[C:10](=[O:11])[N:24]1[CH:23]([CH3:26])[CH2:22][N:21]([c:27]2[cH:28][c:29]([C:35]([F:36])([F:37])[F:38])[c:30]([C:31]#[N:32])[cH:33][cH:34]2)[CH:20]([CH3:19])[CH2:25]1