HRID283115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15007

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

C15H22O3

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

HCID15227695

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(=O)NCCCSc2ccncc2)cc(C(C)(C)C)c1O

HCID19079159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fee0b2dba9254580bf2a24901c7ea7a2
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

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