HRID2326701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID66329831

未命名化合物

结构：CC(C)CC(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C1OC(C)(C)OC1=O

HCID72807234

未命名化合物

结构：CC(C)CC(C(=O)N1CCN(c2ccccn2)CC1)C(O)C(=O)NO

HCID72983429

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1C)C1OC(C)(C)OC1=O

HCID178445114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94a6a704386e47318c4fd40ac77435ab
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

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