HRID1540912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCC(c1ccccc1)N1Cc2cc3c(cc2CC1C(=O)OC)OCC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

HCID76761824

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccccc1)N1Cc2cc3c(cc2CC1C(=O)O)OCC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

HCID76761587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95832f92f4f846ed910f41b889f0f559
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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