HRID687639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID130500

未命名化合物

结构：CC(c1ccc(C(=O)O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421268

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

HCID86645944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcd3a47331cd41d5944db1e381e1960f
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

[CH3:26][O:27][C:28]([c:29]1[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]1)=[O:36].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[CH:11]([C:12]([C:13]([F:14])([F:15])[F:16])([OH:17])[c:18]1[cH:19][c:20]([Cl:24])[n:21][cH:22][cH:23]1)[CH3:25].[OH2:73].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:35][c:32]2[cH:31][cH:30][c:29]([C:28]([O:27][CH3:26])=[O:36])[cH:34][cH:33]2)[cH:8][cH:9][c:10]1[CH:11]([C:12]([C:13]([F:14])([F:15])[F:16])([OH:17])[c:18]1[cH:19][c:20]([Cl:24])[n:21][cH:22][cH:23]1)[CH3:25]