HRID143580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID68471628

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：COCCN1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cccc2C1=O

HCID74428708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-790c12b4d7f8437f850d6b028d726523
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:30][O:31][CH2:32][CH2:33][N:34]1[C:35](=[O:47])[c:36]2[cH:37][cH:38][cH:39][c:40]([C:44](=[O:45])[OH:46])[c:41]2[CH2:42][CH2:43]1.[CH3:59][N:60]([CH3:61])[CH2:62][CH2:63][CH2:64][N:65]=[C:66]=[N:67][CH2:68][CH3:69].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Cl:79][CH2:80][Cl:81].[ClH:1].[ClH:58].[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.[OH:48][c:49]1[c:50]2[n:51][n:52][nH:53][c:54]2[cH:55][cH:56][cH:57]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:44]([c:40]1[cH:39][cH:38][cH:37][c:36]2[c:41]1[CH2:42][CH2:43][N:34]([CH2:33][CH2:32][O:31][CH3:30])[C:35]2=[O:47])=[O:45]