查数据/反应详情

HRID1148821

反应详情

EQUATION

反应方程式

HRID 1148821 的结构方程式

REACTANTS

反应物

2

结构：Cc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1

未命名化合物

结构：FC(F)(F)c1cc(-c2cc(CCl)no2)cc(C(F)(F)F)c1

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-116b1ecf333a4f7886e48f965f3d8aa8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([C:15]#[N:16])[c:8]([C:11]([F:12])([F:13])[F:14])[c:9]2[cH:10]1.[Cl:17][CH2:18][c:19]1[n:20][o:21][c:22](-[c:24]2[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:23]1>>[CH3:1][c:2]1[n:3]([CH2:18][c:19]2[n:20][o:21][c:22](-[c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)[cH:23]2)[c:4]2[cH:5][cH:6][c:7]([C:15]#[N:16])[c:8]([C:11]([F:12])([F:13])[F:14])[c:9]2[cH:10]1

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