HRID2347332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID72899

Indole-2-carboxylic acid

C9H7NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2

HCID77221430

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1cc2ccccc2[nH]1

HCID75057263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecc307ecb6aa486598c6c850dcbcd475
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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