HRID1562675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6558

Isobutylamine

C4H11N

结构：CCC1CC(C(CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)NC(=O)OC(C)(C)C)OC1=O

HCID178436351

未命名化合物

HCID178516071

未命名化合物

PRODUCTS

生成物

结构：CCC(CC(O)C(CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)NC(=O)OC(C)(C)C)C(=O)NCC(C)C

HCID178447088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f6ad7a7be8405989cd3995dfcd63c8
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:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:31])([CH3:32])[CH2:19][N:20]([c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:33]1[O:34][C:35](=[O:40])[CH:36]([CH2:38][CH3:39])[CH2:37]1)=[O:41].[CH2:42]([CH:43]([CH3:44])[CH3:45])[NH2:46].[OH2:47].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:31])([CH3:32])[CH2:19][N:20]([c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:33]([OH:34])[CH2:37][CH:36]([C:35](=[O:40])[NH:46][CH2:42][CH:43]([CH3:44])[CH3:45])[CH2:38][CH3:39])=[O:41]