HRID2318338

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(-c4ccc(F)cc4)cc3CCc3ccccc3)cc2)cc1F

HCID23159974

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCc1ccc(OCc2ccc(Cn3nc(-c4ccc(F)cc4)cc3CCc3ccccc3)cc2)cc1F

HCID23159953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df486a52ff6e40b6b48839a91e1ce19a
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

[CH3:47][OH:48].[ClH:46].[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][n:17]3[n:18][c:19](-[c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:20][c:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:14][cH:15]2)[cH:7]1.[Na+:45].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:44]>>[F:1][c:2]1[c:3]([CH2:37][CH2:38][C:39](=[O:40])[OH:41])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][n:17]3[n:18][c:19](-[c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:20][c:21]3[CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:14][cH:15]2)[cH:7]1