HRID1231064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID8472

Trimethyl phosphite

C3H9O3P

结构：CC1(C2CCC3C4CCC5CC(=O)C(=CO)CC5(C)C4C(=O)CC32C)OCCO1

HCID178421542

未命名化合物

PRODUCTS

生成物

结构：CC1CC2(C)C(CCC3C4CCC(C5(C)OCCO5)C4(C)CC(=O)C32)CC1=O

HCID178421952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81bff588d43a4d449a6d2e5c64696942
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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