HRID2314488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)CCC(=O)N1CCC(CN(C(=O)OC(C)(C)C)C(C)c2cccc3ccccc23)C(c2cccc(F)c2)C1

HCID178471735

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)CCC(=O)O)CC1c1cccc(F)c1)C(=O)OC(C)(C)C

HCID178435698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa4676f12a74ac7a103bb81ad01b6a6
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

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