HRID94337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

结构：CC(C)(C)COc1c(C=Cc2nc3sccn3c2C(=O)O)cccc1OC(F)F

HCID68407347

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1c(C=Cc2nc3sccn3c2C(=O)NCc2cccc(C(F)(F)F)c2)cccc1OC(F)F

HCID67381744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12345f8163f74861b7194c4770521fe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[ClH:53].[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[OH:22])[cH:7][cH:8][cH:9]1)[F:29].[F:30][C:31]([c:32]1[cH:33][c:34]([CH2:38][NH2:39])[cH:35][cH:36][cH:37]1)([F:40])[F:41].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[NH:39][CH2:38][c:34]2[cH:33][c:32]([C:31]([F:30])([F:40])[F:41])[cH:37][cH:36][cH:35]2)[cH:7][cH:8][cH:9]1)[F:29]