HRID147169

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

2 次

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID268471

未命名化合物

结构：CCCNc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N

HCID68764668

未命名化合物

PRODUCTS

生成物

结构：CCCNc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c(-c2ccc(OCCOC(=O)C(C)NC(=O)OC(C)(C)C)cc2)c1C#N

HCID77569041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-684a7455de994d9a8a1139b8f02ef713
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

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