HRID2154956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：CC(C)CN1C(=O)C(CC(=O)O)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID10137030

未命名化合物

HCID12446309

N-Ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine

C10H23N

PRODUCTS

生成物

结构：CC(C)CN1C(=O)C(CC(=O)OCOC(=O)C(C)(C)C)OC(c2ccccc2Cl)c2cc(Cl)ccc21

HCID67603054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65ee4a409e804445b3a7e2bfb177b9b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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