HRID1546369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

结构：N#Cc1c(SCc2csc(-c3ccc(Cl)cc3)n2)nc(N2CCC2)c(C#N)c1-c1ccc(OCCO)cc1

HCID46853023

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCC3)c2C#N)cc1

HCID68765759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0791183b21438a9f51e7e839486297
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

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