HRID90285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1820

5-Fluoroindole-2-carboxylic acid

C9H6FNO2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)C(N)C(=O)N1CC2CC1CN2C(=O)c1ccc(-c2ccccc2)cn1

HCID76741179

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1ccc(-c2ccccc2)cn1

HCID77221287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1e3b3fcc3854e01b485ded6eb4f2cac
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

[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:1][C:2]([CH:3]([C:4](=[O:5])[N:6]1[CH:7]2[CH2:8][N:9]([C:13](=[O:14])[c:15]3[n:16][cH:17][c:18](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[CH:10]([CH2:11]1)[CH2:12]2)[NH2:27])([CH3:28])[CH3:29].[Cl:57][CH2:58][Cl:59].[F:30][c:31]1[cH:32][c:33]2[cH:34][c:35]([C:40](=[O:41])[OH:42])[nH:36][c:37]2[cH:38][cH:39]1.[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[CH3:1][C:2]([CH:3]([C:4](=[O:5])[N:6]1[CH:7]2[CH2:8][N:9]([C:13](=[O:14])[c:15]3[n:16][cH:17][c:18](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[CH:10]([CH2:11]1)[CH2:12]2)[NH:27][C:40]([c:35]1[cH:34][c:33]2[cH:32][c:31]([F:30])[cH:39][cH:38][c:37]2[nH:36]1)=[O:41])([CH3:28])[CH3:29]