HRID1555295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78230

4-Isopropylphenylacetic acid

C11H14O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCOC(=O)c1ccc2c(c1)CCC2NC1CCC(C(C)(C)C)CC1

HCID57586904

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)c1ccc2c(c1)CCC2N(C(=O)Cc1ccc(C(C)C)cc1)C1CCC(C(C)(C)C)CC1

HCID68426730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ef9a030234443d3bc69f0b50a768082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[CH2:9][CH2:10]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH:28]([CH3:29])([CH3:30])[c:31]1[cH:32][cH:33][c:34]([CH2:37][C:38](=[O:39])[OH:40])[cH:35][cH:36]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[C:38]([CH2:37][c:34]2[cH:33][cH:32][c:31]([CH:28]([CH3:29])[CH3:30])[cH:36][cH:35]2)=[O:39])[CH2:9][CH2:10]1