HRID100924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID17933682

5-Fluoro-2,3-dihydro-1H-inden-2-amine

C9H10FN

结构：COc1cc(C=C(CCCCl)C(=O)O)ccc1-n1cnc(C)c1

HCID66839644

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C(CCCCl)C(=O)NC2Cc3ccc(F)cc3C2)ccc1-n1cnc(C)c1

HCID77211969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-031447a95f9b4f38b4463661c85a8a6b
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

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