HRID306249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3c(=O)c(C)cn4C(CC)C(=O)[O-])n2)c(OC)c1)OCC

HCID86654059

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3c(=O)c(C)cn4CC(=O)O)n2)c(OC)c1)OCC

HCID58293027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9504a33078c42a687f20cc6baf54a60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[n:7]1[cH:8][c:9]([CH3:47])[c:10](=[O:46])[c:11]2[c:12]([NH:17][c:18]3[n:19][c:20]([NH:28][c:29]4[c:30]([O:44][CH3:45])[cH:31][c:32]([CH2:35][P:36](=[O:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43])[cH:33][cH:34]4)[n:21][cH:22][c:23]3[C:24]([F:25])([F:26])[F:27])[cH:13][cH:14][cH:15][c:16]12.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:56][OH:57].[Li+:54].[OH-:53].[OH2:55]>>[CH2:3]([C:4](=[O:5])[OH:6])[n:7]1[cH:8][c:9]([CH3:47])[c:10](=[O:46])[c:11]2[c:12]([NH:17][c:18]3[n:19][c:20]([NH:28][c:29]4[c:30]([O:44][CH3:45])[cH:31][c:32]([CH2:35][P:36](=[O:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43])[cH:33][cH:34]4)[n:21][cH:22][c:23]3[C:24]([F:25])([F:26])[F:27])[cH:13][cH:14][cH:15][c:16]12