HRID2145094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

HCID57813281

未命名化合物

PRODUCTS

产物

HCID57813424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a61dd90087694014a9a47d462cd47c1f
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

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