HRID1541623

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：CC(C)(C)COc1c(C=Cc2nc3ccccn3c2C(=O)O)cccc1OC(F)F

HCID67549132

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1c(C=Cc2nc3ccccn3c2C(=O)Nc2nc(C3CC3)cs2)cccc1OC(F)F

HCID75215948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a600b01f32b42aeb814d891451d9218
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

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