HRID312479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)Oc1cccc(OCCc2nc(-c3cccc(-c4ccccc4)c3)oc2C)c1

HCID69872475

2-{3-[2-(2-Biphenyl-3-yl-5-methyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl ester

C30H31NO5

PRODUCTS

生成物

结构：Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1cccc(OC(C)(C)C(=O)O)c1

HCID9868714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7aa534f3ed14fe1b43a93e0c437e5c9
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

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