HRID204005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7409

alpha-Methylbenzyl alcohol

C8H10O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOC(=O)Cn1c2c(c3ccccc31)CC(C(=O)Cl)CC2

HCID86635309

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1c2c(c3ccccc31)CC(C(=O)OC(C)c1ccccc1)CC2

HCID178472583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd9f4ce40f634f9093faad5ea3170baf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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