HRID808430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4986250

1-(2,4-difluorophenyl)ethanamine

C8H9F2N

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)NC(C)c2ccc(F)cc2F)ccc1-n1cnc(C)c1

HCID77211896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb9a7f837e15418e9539bda01f12ba7e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:13][CH2:14][CH2:15][CH2:16][C:17]([C:18](=[O:19])[OH:20])=[CH:21][c:22]1[cH:23][c:24]([O:34][CH3:35])[c:25](-[n:28]2[cH:29][n:30][c:31]([CH3:33])[cH:32]2)[cH:26][cH:27]1.[F:36][c:37]1[c:38]([CH:44]([CH3:45])[NH2:46])[cH:39][cH:40][c:41]([F:43])[cH:42]1.[F:6][C:7]([F:8])([F:9])[C:10]([OH:11])=[O:12].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:63].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[Cl:13][CH2:14][CH2:15][CH2:16][C:17]([C:18](=[O:20])[NH:46][CH:44]([c:38]1[c:37]([F:36])[cH:42][c:41]([F:43])[cH:40][cH:39]1)[CH3:45])=[CH:21][c:22]1[cH:23][c:24]([O:34][CH3:35])[c:25](-[n:28]2[cH:29][n:30][c:31]([CH3:33])[cH:32]2)[cH:26][cH:27]1