HRID2348259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID7813

4-Methylbenzenamine

C7H9N

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

反应SMILES：Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)O

HCID22245123

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(NC(=O)c2c(C)cccc2NC(=O)OC(C)(C)C)cc1

HCID22245130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db4889e9380a4b0fa28593cd8fd3ee2a
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

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