HRID673043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)CCCc1cc(C(=O)c2cccc(N)c2)c2ccccn12

HCID10904244

未命名化合物

HCID10935364

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(Nc1cccc(C(=O)c2cc(CCCC(=O)OCC)n3ccccc23)c1)c1ccc(CC(C)C)cc1

HCID19010761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8392676db9e44b1c897dcb8cbc87c1f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:27][CH:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[c:34]1[cH:35][cH:36][c:37]([CH2:40][CH:41]([CH3:42])[CH3:43])[cH:38][cH:39]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:59][CH2:60][Cl:61].[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[c:7]2[cH:8][c:9]([CH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:24][cH:25][cH:26]1.[OH2:62]>>[NH:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[c:7]2[cH:8][c:9]([CH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:24][cH:25][cH:26]1)[CH:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[c:34]1[cH:35][cH:36][c:37]([CH2:40][CH:41]([CH3:42])[CH3:43])[cH:38][cH:39]1