HRID2320483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID4989215

Pyridinium

C5H6N+

结构：CC(C)C(O)(c1ccc2cc(C(=O)NC3CC3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18769022

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(O)(c1ccc2cc(C(=O)NC3CC3)ccc2c1)c1c[nH]cn1

HCID178450069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5681455baa794f8a882169d7e4f0a5bf
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:53](=[O:54])([OH:55])[O-:56].[CH3:58][OH:59].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([C:17]([CH:18]([CH3:19])[CH3:20])([c:21]4[n:22][cH:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[OH:45])[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3]1.[Cl-:46].[Na+:57].[nH+:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([C:17]([CH:18]([CH3:19])[CH3:20])([c:21]4[n:22][cH:23][nH:24][cH:25]4)[OH:45])[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3]1