HRID700209

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：COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1

HCID24862915

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc2cn[nH]c12

HCID21102025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-308f052ab7ef4828803051462328facf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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