HRID1539526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID588175

4-Chloro-2,6-dimethylpyridine

C7H8ClN

结构：CCOC(=O)C1(COc2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CCNCC1

HCID11155204

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(COc2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CCN(c2cc(C)nc(C)c2)CC1

HCID60064154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba04c38c14924d2ca4245c575421ee4d
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])[N:11]1[CH2:12][c:13]2[cH:14][c:15]([O:21][CH2:22][C:23]3([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:16][cH:17][c:18]2[CH2:19][CH2:20]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:50][CH2:51][OH:52].[Cl:41][c:42]1[cH:43][c:44]([CH3:49])[n:45][c:46]([CH3:48])[cH:47]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][c:13]2[cH:14][c:15]([O:21][CH2:22][C:23]3([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:24][CH2:25][N:26]([c:42]4[cH:43][c:44]([CH3:49])[n:45][c:46]([CH3:48])[cH:47]4)[CH2:27][CH2:28]3)[cH:16][cH:17][c:18]2[CH2:19][CH2:20]1