HRID1142020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1049

Pyridine

C5H5N

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

HCID22018385

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1

HCID22018342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39fd52168fa04de8b6693c795be120c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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