HRID292837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCC(C(=O)[O-])c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2)cc1

HCID53630197

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(CC(=O)O)cc2)n1

HCID11496770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07051f8305b34bc1bd91639a9598b0d0
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])[c:7]1[cH:8][cH:9][c:10](-[n:13]2[n:14][c:15]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:16][c:17]2[NH:18][C:19](=[O:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[cH:11][cH:12]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:47][CH2:48][OH:49].[ClH:50].[Li+:40].[OH-:39].[OH2:46]>>[CH2:3]([C:4](=[O:5])[OH:6])[c:7]1[cH:8][cH:9][c:10](-[n:13]2[n:14][c:15]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:16][c:17]2[NH:18][C:19](=[O:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[cH:11][cH:12]1