HRID2323211

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：CCOC(=O)C=Cc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1

HCID90828846

Ethyl 3-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-5-yl]prop-2-enoate

C33H31N3O6

PRODUCTS

生成物

结构：COc1cc(COc2cc(C=CC(=O)O)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

HCID69217881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c09bd3eb40b44aea8398ed7c2e475224
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:11]([CH:13]=[CH:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:12]2)[cH:26][cH:27][c:28]1[O:29][CH2:30][c:31]1[n:32][c:33](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[o:34][c:35]1[CH3:36].[CH3:51][CH2:52][OH:53].[ClH:50].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[n:9][n:10](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:11]([CH:13]=[CH:14][C:15](=[O:16])[OH:17])[cH:12]2)[cH:26][cH:27][c:28]1[O:29][CH2:30][c:31]1[n:32][c:33](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[o:34][c:35]1[CH3:36]