HRID1567270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1ccc(NC(=O)N2CCC(c3ccccc3)C(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C2)c(OC)c1

HCID178498185

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)O)ccc1NC(=O)N1CCC(c2ccccc2)C(CN(C(=O)OC(C)(C)C)C(C)c2cccc3ccccc23)C1

HCID178492740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-696ea07d857c4f60bf6d6a33085dd152
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH2:23][N:24]([C:34](=[O:35])[NH:36][c:37]2[c:38]([O:47][CH3:48])[cH:39][c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46]2)[CH2:25][CH2:26][CH:27]1[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:57][OH:58].[ClH:56].[Na+:55].[OH-:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH2:23][N:24]([C:34](=[O:35])[NH:36][c:37]2[c:38]([O:47][CH3:48])[cH:39][c:40]([C:41](=[O:42])[OH:43])[cH:45][cH:46]2)[CH2:25][CH2:26][CH:27]1[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1