HRID1218277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)COc1ccc(CN(CCOC)c2cncc(-c3ccc(C(F)(F)F)cc3)n2)cc1C

HCID58622890

未命名化合物

PRODUCTS

生成物

结构：COCCN(Cc1ccc(OCC(=O)O)c(C)c1)c1cncc(-c2ccc(C(F)(F)F)cc2)n1

HCID18448290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36938efe95fe438289f988d9ae4d954b
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

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