HRID137828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

结构：O=C(O)c1cc(C=C(Cn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1

HCID54374779

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1cc(C=C(Cn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1

HCID178500604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22e1655dea504af587f00bfbfc20dfc8
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

[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:49][O:50][C:51]([CH:52]([NH2:53])[CH2:54][CH2:55][S:56][CH3:57])=[O:58].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1)[CH3:74].[Cl:75][CH2:76][Cl:77].[ClH:48].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([CH:19]=[C:20]([CH2:21][n:22]3[cH:23][n:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:17][cH:18]2)[cH:6][cH:7]1.[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[c:11]([C:12](=[O:13])[NH:53][CH:52]([C:51]([O:50][CH3:49])=[O:58])[CH2:54][CH2:55][S:56][CH3:57])[cH:15][c:16]([CH:19]=[C:20]([CH2:21][n:22]3[cH:23][n:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[cH:17][cH:18]2)[cH:6][cH:7]1