HRID662816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID67977

2-Propenoic acid, 3-(2-fluorophenyl)-

C9H7FO2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID22145014

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1ccccc1F)NC(CO)c1cccc(CN2CCOCC2)c1

HCID69593493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f89f99d78574bb99d095e867896dd0f
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

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