HRID281255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

10 次

HCID1117

Sulfate

O4S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COC(=O)c1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1

HCID23076574

methyl 3-{[3-methoxy-4-(5-methyl-2-phenyl-1,3-oxazol-4-ylmethoxy)benzyl]oxy}-1-phenyl-1H-pyrazole-5-carboxylate

C30H27N3O6

PRODUCTS

生成物

结构：COc1cc(COc2cc(CO)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

HCID69217406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9702f1deeed74f178a49cc3dc0971835
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Al+3:41].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:11]([C:13](=[O:14])[O:15][CH3:16])[cH:12]2)[cH:23][cH:24][c:25]1[O:26][CH2:27][c:28]1[n:29][c:30](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[o:31][c:32]1[CH3:33].[H-:40].[H-:43].[H-:44].[H-:45].[Li+:42].[Na+:61].[Na+:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[S:56]([O-:57])([O-:58])(=[O:59])=[O:60]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:11]([CH2:13][OH:14])[cH:12]2)[cH:23][cH:24][c:25]1[O:26][CH2:27][c:28]1[n:29][c:30](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[o:31][c:32]1[CH3:33]