HRID111542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21412335

未命名化合物

结构：COc1ccc2oc(C(=O)C(C)(C)C)c(CC(=O)O)c2c1

HCID57804476

未命名化合物

PRODUCTS

生成物

结构：CCN(CCC(C)(C)C)C(=O)Cc1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12

HCID11315595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bab0cc738d5344a2925b29c3eeb31272
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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