HRID134028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1031

1-Propanol

C3H8O

HCID6422

未命名化合物

HCID2783176

2,3-Difluoropyridine

C5H3F2N

结构：CC(C)(O)CC1(c2ccccc2)CCN(C2CCCNC2)C(=O)O1

HCID66746656

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CC1(c2ccccc2)CCN(C2CCCN(c3ncccc3F)C2)C(=O)O1

HCID67019856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df768f199ba042f0a615d28b7367d363
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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