HRID281329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)OC)CC1

HCID178466390

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1

HCID178466389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af518818da014e6780f6b0701942683a
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

[CH3:1][O:2][C:3]([CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[C:14]([c:34]3[cH:35][n:36][c:37]([C:43]([CH3:44])([CH3:45])[CH3:46])[cH:38][c:39]3[O:40][CH2:41][CH3:42])=[N:15][C:16]([CH3:26])([c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[C:17]2([CH3:18])[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[CH2:9][CH2:10]1)=[O:47].[CH3:51][OH:52].[ClH:50].[Li+:48].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:49].[OH2:58]>>[O:2]=[C:3]([CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[N:13]2[C:14]([c:34]3[cH:35][n:36][c:37]([C:43]([CH3:44])([CH3:45])[CH3:46])[cH:38][c:39]3[O:40][CH2:41][CH3:42])=[N:15][C:16]([CH3:26])([c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[C:17]2([CH3:18])[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[CH2:9][CH2:10]1)[OH:47]