HRID701884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID818882

5-Formyl-2-thiophenecarboxylic Acid

C6H4O3S

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

HCID178483792

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)c1ccc(C=O)s1)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cd4931301fd4ed6bf77fe1c0dd9daf4
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

[CH2:67]([N:68]=[C:69]=[N:70][CH2:71][CH2:72][CH2:73][N:74]([CH3:75])[CH3:76])[CH3:77].[CH2:83]([Cl:84])[Cl:85].[CH:56](=[O:57])[c:58]1[cH:59][cH:60][c:61]([C:63](=[O:64])[OH:65])[s:62]1.[ClH:66].[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])[N:38]([CH2:39][CH2:40][CH2:41][NH:42][CH3:43])[CH3:44])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:45][CH2:46]3)[CH2:12]2)[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55].[Na+:78].[OH:79][C:80](=[O:81])[O-:82]>>[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])[N:38]([CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[C:63]([c:61]5[cH:60][cH:59][c:58]([CH:56]=[O:57])[s:62]5)=[O:65])[CH3:44])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:45][CH2:46]3)[CH2:12]2)[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55]