HRID1136705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCC(CCC)N1CCc2c(C(=O)O)cc(N(C)S(C)(=O)=O)cc2C1=O

HCID68469685

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：CCCC(CCC)N1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cc(N(C)S(C)(=O)=O)cc2C1=O

HCID74428712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d29386841784a82a483d228e507abfe
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

[CH3:30][N:31]([c:32]1[cH:33][c:34]([C:50](=[O:51])[OH:52])[c:35]2[c:40]([cH:41]1)[C:39](=[O:42])[N:38]([CH:43]([CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49])[CH2:37][CH2:36]2)[S:53](=[O:54])(=[O:55])[CH3:56].[CH3:68][N:69]([CH3:70])[CH2:71][CH2:72][CH2:73][N:74]=[C:75]=[N:76][CH2:77][CH3:78].[CH:79]([N:80]([CH2:81][CH3:82])[CH:83]([CH3:84])[CH3:85])([CH3:86])[CH3:87].[Cl:88][CH2:89][Cl:90].[ClH:1].[ClH:67].[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.[OH2:91].[OH:57][c:58]1[c:59]2[n:60][n:61][nH:62][c:63]2[cH:64][cH:65][cH:66]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:50]([c:34]1[cH:33][c:32]([N:31]([CH3:30])[S:53](=[O:54])(=[O:55])[CH3:56])[cH:41][c:40]2[c:35]1[CH2:36][CH2:37][N:38]([CH:43]([CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49])[C:39]2=[O:42])=[O:51]