HRID202456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID12084

4-Chlorobenzamide

C7H6ClNO

HCID61124

beta-Homocyclocitral

C11H18O

HCID178418385

未命名化合物

PRODUCTS

生成物

结构：CC1=C(CC(NC(=O)c2ccc(Cl)cc2)n2nnc3ccccc32)C(C)(C)CCC1

HCID18770613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-122a3f3d1fdd4f6aa17a9e448a2b38b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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