HRID1141893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID9833937

4-(Methylamino)butan-1-ol

C5H13NO

结构：O=C(O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178525940

未命名化合物

PRODUCTS

生成物

结构：CN(CCCCO)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-201ca52fb6ab4c0eb4191b9f22e5f3ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:57]([Cl:58])(=[O:59])[C:60]([CH3:61])([CH3:62])[CH3:63].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:64][NH:65][CH2:66][CH2:67][CH2:68][CH2:69][OH:70].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[Cl:76][CH2:77][Cl:78].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][O:10][C:11]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][C:25]4([CH:26]([O:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:39][CH2:40]3)[CH2:12]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[Na+:71].[OH:72][C:73](=[O:74])[O-:75]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][O:10][C:11]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][C:25]4([CH:26]([O:34][CH2:35][C:36](=[O:38])[N:65]([CH3:64])[CH2:66][CH2:67][CH2:68][CH2:69][OH:70])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:39][CH2:40]3)[CH2:12]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49]