HRID205179

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

HCID3391042

1-(2-methylphenyl)ethanamine

C9H13N

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)c2ccccc2C)ccc1-n1cnc(C)c1

HCID66961039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6fc4b991b7b4fa7a7d6b8c81fb0cd23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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