HRID1215770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID241

Benzene

C6H6

HCID6422

未命名化合物

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

结构：Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c2cccc(F)c2c(=O)n1NC(=O)OC(C)(C)C

HCID67297921

未命名化合物

结构：CC(=O)C(C(=O)NC(c1cccc(F)c1)C1CCC1)c1cccc(F)c1C(=O)O

HCID87234526

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c2cccc(F)c2c(=O)n1N

HCID72262220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc7f4f446d149a7b0e59cc9e3b5f31b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[NH:37][NH2:38].[C:39]([O:40][C:41](=[O:42])[NH:45][n:46]1[c:47](=[O:73])[c:48]2[c:49]([F:72])[cH:50][cH:51][cH:52][c:53]2[c:54]([C:57]([NH:58][CH:59]([c:60]2[cH:61][c:62]([F:66])[cH:63][cH:64][cH:65]2)[CH:67]2[CH2:68][CH2:69][CH2:70]2)=[O:71])[c:55]1[CH3:56])([CH3:43])([CH3:44])[CH3:74].[CH:1]1([CH:2]([NH:3][C:4]([CH:5]([c:6]2[cH:7][cH:8][cH:9][c:10]([F:11])[c:12]2[C:13]([OH:14])=[O:15])[C:16](=[O:17])[CH3:18])=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24]([F:25])[cH:26]2)[CH2:27][CH2:28][CH2:29]1.[Cl:88][CH2:89][CH2:90][Cl:91].[F:75][C:76]([F:77])([F:78])[C:79]([OH:80])=[O:81].[cH:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[NH2:45][n:46]1[c:47](=[O:73])[c:48]2[c:49]([F:72])[cH:50][cH:51][cH:52][c:53]2[c:54]([C:57]([NH:58][CH:59]([c:60]2[cH:61][c:62]([F:66])[cH:63][cH:64][cH:65]2)[CH:67]2[CH2:68][CH2:69][CH2:70]2)=[O:71])[c:55]1[CH3:56]