HRID2346980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCCCC(F)(F)F)c1

HCID67273716

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2OCCCC(F)(F)F)c1

HCID11511976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35c2fb147caa4a7a8e7fbb11e7b3cc8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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