HRID297733

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(CN(C(=O)OC(C)(C)C)C(C)c3cccc4ccccc34)C(c3ccccc3)C2)c(Cl)c1

HCID178498189

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)Nc2ccc(C(=O)O)cc2Cl)CC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12e9b336b6054a958dc42559da0c9fd2
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

[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[CH:23]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:24][N:25]([C:28](=[O:29])[NH:30][c:31]2[c:32]([Cl:41])[cH:33][c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[CH2:26][CH2:27]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:56][OH:57].[ClH:55].[Na+:54].[OH-:53]>>[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[CH:23]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:24][N:25]([C:28](=[O:29])[NH:30][c:31]2[c:32]([Cl:41])[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:39][cH:40]2)[CH2:26][CH2:27]1