HRID2331676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13394

m-Hydroxybenzonitrile

C7H5NO

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Br)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430327

未命名化合物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430352

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)cn3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1d1aa3f36f2467885c423e7a9c2ede4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1.[C:33](#[N:34])[c:35]1[cH:36][c:37]([OH:41])[cH:38][cH:39][cH:40]1.[F:42][c:43]1[cH:44][cH:45][c:46]([O:47][c:48]2[cH:49][cH:50][c:51]([C:52]([N:53]([CH3:54])[c:55]3[cH:56][cH:57][c:58]([CH2:59][N:60]4[CH2:61][CH2:62][N:63]([C:64]([O:65][C:66]([CH3:67])([CH3:68])[CH3:69])=[O:70])[CH:71]([CH3:72])[CH2:73]4)[cH:74][cH:75]3)=[O:76])[n:77][cH:78]2)[cH:79][cH:80]1>>[c:2]1([O:41][c:37]2[cH:36][c:35]([C:33]#[N:34])[cH:40][cH:39][cH:38]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]([c:11]2[cH:12][cH:13][c:14]([CH2:17][N:18]3[CH2:19][CH:20]([CH3:31])[N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]3)[cH:15][cH:16]2)[CH3:32])[n:6][cH:7]1