HRID686336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID78168

2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-

C5H6N2O3

结构：COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID96831

1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)

C21H19ClO2

PRODUCTS

生成物

结构：COc1ccc(C(OCc2c[nH]c(=O)[nH]c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID18791912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afe887bc4a3f4c988eb2a2d054d3b900
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([C:25]([c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[Cl:40])[cH:41][cH:42]1.[OH2:1].[OH:2][CH2:3][c:4]1[c:5](=[O:11])[nH:6][c:7](=[O:10])[nH:8][cH:9]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[O:2]([CH2:3][c:4]1[c:5](=[O:11])[nH:6][c:7](=[O:10])[nH:8][cH:9]1)[C:25]([c:24]1[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:42][cH:41]1)([c:26]1[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1