HRID2130118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID130500

未命名化合物

结构：CC1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1N

HCID11486150

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(=O)CCNC(=O)OC(C)(C)C

HCID69911989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d74a130218044d99604a9e164e7d9b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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