HRID1551583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID7677

1-Piperazineethanol

C6H14N2O

HCID7914

Isopropyl ether

C6H14O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21127829

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1C2CCC(O2)C1C(=O)N1CCN(CCO)CC1

HCID59173048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-674becd49e0e487aa54b2cd3ce9f995f
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

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