HRID1141387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID18840

Cyclopentane carboxylic acid

C6H10O2

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(N)cc3)cc21

HCID86587769

未命名化合物

PRODUCTS

生成物

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)C4CCCC4)cc3)cc21

HCID10210059

N-[4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclopentanecarboxamide

C31H30N4O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0e1485c81bf4e85a7c5d645cd165224
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

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