HRID672269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)CCc1ccc(OCc2ccc(Cn3nc(C(C)(C)C)cc3C(C)(C)C)cc2)cc1F

HCID23159844

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(C)(C)C)n(Cc2ccc(COc3ccc(CCC(=O)O)c(F)c3)cc2)n1

HCID23159993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310e52f3970a4e28be47686783a4fbff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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