HRID2317237

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：CCOC(=O)CC1CCc2cc(OCCCNc3nc(-c4ccc(OC)cc4)ccc3C(F)(F)F)ccc21

HCID178470607

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(F)(F)F)c(NCCCOc3ccc4c(c3)CCC4CC(=O)O)n2)cc1

HCID178488568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-890bb4f2ffdd49d2bf1814d932354f55
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

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