HRID88795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

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)C

HCID178447089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7e54f8b79e4470ba4d13dd6e76bf00a
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: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].[CH3:42][C:43]([CH2:44][NH2:45])([CH3:46])[CH3:47].[OH2:48].[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:45][CH2:44][C:43]([CH3:42])([CH3:46])[CH3:47])[CH2:38][CH3:39])=[O:41]