HRID1130829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)CC(C)(C)c1ccc(-c2ccc(C(=O)O)cc2)c(OCCCOC)c1

HCID66906376

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c(OCCCOC)c1

HCID66906304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ce9ee78806f403da928b3038f0b8e7e
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

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