HRID2342157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C(C)(C)C(=O)O)cn2)c1=O

HCID46908804

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C(C)(C)C(=O)N3CCOCC3)cn2)c1=O

HCID46908805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23851bd1a70e43b4b33a057fabc084c7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:44][OH:45])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([C:38]([C:39](=[O:40])[OH:41])([CH3:42])[CH3:43])[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[cH:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1.[CH2:46]1[CH2:47][O:48][CH2:49][CH2:50][NH:51]1.[CH2:52]([Cl:53])[CH2:54][Cl:55].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl-:56].[Cl:67][CH2:68][Cl:69].[NH4+:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[cH:8][n:9][n:10](-[c:17]3[c:18]([CH2:44][OH:45])[c:19](-[c:23]4[cH:24][c:25]([NH:31][c:32]5[cH:33][cH:34][c:35]([C:38]([C:39](=[O:40])[N:51]6[CH2:46][CH2:47][O:48][CH2:49][CH2:50]6)([CH3:42])[CH3:43])[cH:36][n:37]5)[c:26](=[O:30])[n:27]([CH3:29])[cH:28]4)[cH:20][cH:21][cH:22]3)[c:11](=[O:16])[c:12]2[c:13]([F:15])[cH:14]1