HRID134129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7012

Benzeneacetic acid, .alpha.-ethyl-

C10H12O2

HCID609328

2,3,5-Trimethyl-6-nitroindole

C11H12N2O2

结构：COC(=O)c1ccc(Cn2c(C)c(C)c3cc(C)c(N)cc32)c(OC)c1

HCID19744303

未命名化合物

PRODUCTS

生成物

结构：CCC(C(=O)Nc1cc2c(cc1C)c(C)c(C)n2Cc1ccc(C(=O)OC)cc1OC)c1ccccc1

HCID19744308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d762baefc5f4444fa7734351fcb2e57a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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