HRID2125157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3OCc3ccc4ccccc4c3)c2)c1

HCID67542665

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)c2)C(OCc2ccc3ccccc3c2)C1

HCID67543490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38c6e84fa27b4c95a37b09b444720227
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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