HRID2321373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc(Cc2nnc(-c3cccc(-c4ncc(-c5ccc(OC)cc5)o4)c3)o2)cc1

HCID58804858

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cnc(-c3cccc(-c4nnc(Cc5ccc(C(=O)O)cc5)o4)c3)o2)cc1

HCID58804847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9913ff6716e44e08ab394ec7d03f9544
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

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