HRID182728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7243

1,2-Phenylenediamine

C6H8N2

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15007

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

C15H22O3

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(=O)Nc2ccccc2N)cc(C(C)(C)C)c1O

HCID23370116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba9eb24b32564dbc95c78f09b78d19da
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

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