HRID94131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：CCCCOC(=O)c1ccc2c(c1)CCC2N(C(=O)Cc1ccc(C(C)C)cc1)C1CCC(C(C)(C)C)CC1

HCID68426730

未命名化合物

HCID178509299

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(CC(=O)N(C2CCC(C(C)(C)C)CC2)C2CCc3cc(C(=O)Nc4nnn[nH]4)ccc32)cc1

HCID178439102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b5ccb54eab4b0f94f7a057b4dd795b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[O:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:18][cH:19][c:20]32)[C:28]([CH2:29][c:30]2[cH:31][cH:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]2)=[O:39])[CH2:9][CH2:10]1.[Li+:41].[NH2:42][c:43]1[n:44][n:45][n:46][nH:47]1.[OH-:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[cH:16][c:17]([C:21](=[O:22])[NH:42][c:43]4[n:44][n:45][n:46][nH:47]4)[cH:18][cH:19][c:20]32)[C:28]([CH2:29][c:30]2[cH:31][cH:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]2)=[O:39])[CH2:9][CH2:10]1