HRID687971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID6422

未命名化合物

HCID2724942

未命名化合物

HCID10726182

Tert-butyl 3-formylazetidine-1-carboxylate

C9H15NO3

结构：Nc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N(C(=O)C(F)(F)F)C2CCOCC2)c1

HCID86647628

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(CNc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)C1

HCID86647629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de34a42f3288411197da67071ea6497d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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