HRID298442

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

HCID3015701

1-(1H-indol-3-yl)ethanamine

C10H12N2

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)c2c[nH]c3ccccc23)ccc1-n1cnc(C)c1

HCID77211939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1e7d0aa1bab4b65a5b942c318d1e8ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[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:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1.[nH:45]1[cH:46][c:47]([CH:54]([CH3:55])[NH2:56])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]12>>[Cl:22][CH2:23][CH2:24][CH2:25][C:26]([C:27](=[O:29])[NH:56][CH:54]([c:47]1[cH:46][nH:45][c:53]2[c:48]1[cH:49][cH:50][cH:51][cH:52]2)[CH3:55])=[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