HRID2341764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COC(=O)C(CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccnc2ccc(OC)nc12

HCID57423104

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(C(CO)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1

HCID57423105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66dbc72b5ecb4b0f94271e83e91c6ac6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Al+3:34].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([C:17](=[O:18])[O:19][CH3:20])[c:21]2[cH:22][cH:23][n:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[n:29][c:30]23)[CH2:13][CH2:14]1.[H-:33].[H-:36].[H-:37].[H-:38].[Li+:35].[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:40].[OH2:39]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH:16]([CH2:17][OH:18])[c:21]2[cH:22][cH:23][n:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[n:29][c:30]23)[CH2:13][CH2:14]1