HRID201688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)ON3C(=O)CCC3=O)cc21

HCID42632481

2,5-dioxopyrrolidin-1-yl 5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxylate

C22H19F2N3O5

HCID57418768

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCN(C)C)NC(=O)c1cc2c(cnn2CC(C)C)cc1Oc1ccc(F)cc1F

HCID57737280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17e61c9e05754d7fb603eb67857fa7c9
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

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