HRID690880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(Nc1nc2cccc(C(=O)Nc3nc4c(s3)CNCC4)c2[nH]1)c1cc2ccccc2cn1

HCID178522488

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2c(C(=O)Nc3nc4c(s3)CN(C(=O)c3ccccc3)CC4)cccc2[nH]1)c1cc2ccccc2cn1

HCID58026653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99454a5e538d4fc98738591465f6158a
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

[C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)(=[O:48])[Cl:49].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:50][CH2:51][Cl:52].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1.[n:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:18]2[nH:19][c:20]([NH:22][C:23](=[O:24])[c:25]2[n:26][cH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34]2)[n:21]3)[s:3][c:4]2[c:9]1[CH2:8][CH2:7][NH:6][CH2:5]2>>[n:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:18]2[n:19][c:20]([NH:22][C:23](=[O:24])[c:25]2[n:26][cH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34]2)[nH:21]3)[s:3][c:4]2[c:9]1[CH2:8][CH2:7][N:6]([C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:48])[CH2:5]2