HRID104472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

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(C(=O)O)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

HCID69216964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39aeac2f5e214042a6fc0464e8730ece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[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].[CH3:48][CH2:49][OH:50].[ClH:47].[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:40]>>[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])[OH:15])[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]