HRID92703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID10434

1,3-Cyclohexanedione

C6H8O2

HCID2764069

2-Amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile

C17H19N3O

PRODUCTS

生成物

结构：COc1ccc(Cn2c3c(c(C#N)c2NC2=CC(=O)CCC2)CCCC3)cc1

HCID19915702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43dfd4330a2440edbca5632357e4214a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:22]1(=[O:29])[CH2:23][C:24](=[O:28])[CH2:25][CH2:26][CH2:27]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[NH2:1][c:2]1[n:3]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:4]2[c:9]([c:10]1[C:11]#[N:12])[CH2:8][CH2:7][CH2:6][CH2:5]2.[OH2:41].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[NH:1]([c:2]1[n:3]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:4]2[c:9]([c:10]1[C:11]#[N:12])[CH2:8][CH2:7][CH2:6][CH2:5]2)[C:22]1=[CH:23][C:24](=[O:28])[CH2:25][CH2:26][CH2:27]1