HRID2318466

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

HCID674456

4-Cyclopropylthiazol-2-amine

C6H8N2S

结构：O=C(O)c1c(C=Cc2cccc(OC(F)F)c2OCC2CCC2)nc2sccn12

HCID67549460

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc(C2CC2)cs1)c1c(C=Cc2cccc(OC(F)F)c2OCC2CCC2)nc2sccn12

HCID75215859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0092e9e127ba45f597837f1e2f54502c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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