HRID1560375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID68469137

未命名化合物

结构：NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(F)(F)F)c2)CC1

HCID77242545

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CCCCCN1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cccc2C1=O

HCID74428603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c5df4e99d16495ea30c84009042981e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:83]([O:84][CH2:85][CH3:86])[CH3:87].[CH3:60][N:61]([CH3:62])[CH2:63][CH2:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH3:70].[CH:71]([N:72]([CH2:73][CH3:74])[CH:75]([CH3:76])[CH3:77])([CH3:78])[CH3:79].[Cl:80][CH2:81][Cl:82].[ClH:1].[ClH:59].[NH2:2][CH:3]([CH:4]([CH2:5][NH:6][C:7]1([c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[CH2:8][CH2:9]1)[OH:20])[CH2:21][c:22]1[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]1.[O:30]=[C:31]1[N:32]([CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH2:33][CH2:34][c:35]2[c:36]([C:41](=[O:42])[OH:43])[cH:37][cH:38][cH:39][c:40]21.[OH2:88].[OH:49][c:50]1[c:51]2[n:52][n:53][nH:54][c:55]2[cH:56][cH:57][cH:58]1>>[NH:2]([CH:3]([CH:4]([CH2:5][NH:6][C:7]1([c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[CH2:8][CH2:9]1)[OH:20])[CH2:21][c:22]1[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]1)[C:41]([c:36]1[c:35]2[c:40]([cH:39][cH:38][cH:37]1)[C:31](=[O:30])[N:32]([CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH2:33][CH2:34]2)=[O:42]