HRID204200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCOP(=O)(OCC)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C

HCID21069942

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C

HCID21069963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de794bd816cd4223b1711b88e8e64e13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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