HRID662217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7498

alpha-Bromotoluene

C7H7Br

HCID66692781

未命名化合物

结构：COc1cccc(OC)c1CNC(=N)Nc1nc(C2CCCN2)cs1

HCID178491362

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(OC)c1CNC(=N)Nc1nc(C2CCCN2Cc2ccccc2)cs1

HCID178491358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bb9e9e7a86c469da0e277b48e346f27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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