HRID1127306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID169982

3-Chloro-p-anisic acid

C8H7ClO3

HCID59190841

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1Cl

HCID59190857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96184459d4f5489280d8b598a31343ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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