HRID2126527

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

HCID1201417

2-Thiazolamine, 4-(trifluoromethyl)-

C4H3F3N2S

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)O)c1OCC(C)(C)C

HCID67549488

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OCC(C)(C)C

HCID75150717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-630fe51804b7496eae237c557eecc911
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([CH:13]=[CH:14][c:15]2[n:16][c:17]3[s:18][cH:19][cH:20][n:21]3[c:22]2[C:23](=[O:24])[OH:25])[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12])([CH3:26])[CH3:27].[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[Cl:59][CH2:60][Cl:61].[ClH:49].[F:28][C:29]([c:30]1[n:31][c:32]([NH2:35])[s:33][cH:34]1)([F:36])[F:37].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66]>>[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([CH:13]=[CH:14][c:15]2[n:16][c:17]3[s:18][cH:19][cH:20][n:21]3[c:22]2[C:23](=[O:24])[NH:35][c:32]2[n:31][c:30]([C:29]([F:28])([F:36])[F:37])[cH:34][s:33]2)[cH:7][cH:8][cH:9][c:10]1[O:11][CH3:12])([CH3:26])[CH3:27]