HRID1545523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

反应SMILES：COC(=O)c1cc(Cc2ccccc2)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID51041214

未命名化合物

PRODUCTS

产物

HCID923

Sodium ion

Na+

反应SMILES：O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cc2ccccc2)cc1C(=O)[O-]

HCID178521447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c892d841f92742af92900b8cf1848cff
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

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