HRID202879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1cc(Cl)cc2c1NC(c1cccc(-c3ccc(N(C)C)cc3)c1)C(C)(C)C2

HCID67443899

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2cccc(C3Nc4c(cc(Cl)cc4C(=O)O)CC3(C)C)c2)cc1

HCID67441457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1670c2b63bc49d1b9fca33e56df53e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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