HRID1560604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID12291

Piperidine, 1-methyl-

C6H13N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID18972799

未命名化合物

HCID178425780

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(COC(=O)NC(C(=O)NC(C)COc2ccc(C#N)cc2)C(C)C)cc1

HCID178425779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef4a9e76cc14bd88c51c08d5792b9ec
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:35](#[N:36])[c:37]1[cH:38][cH:39][c:40]([O:41][CH2:42][CH:43]([CH3:44])[NH2:45])[cH:46][cH:47]1.[CH2:48]([Cl:49])[Cl:50].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[CH3:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][O:14][C:15](=[O:16])[NH:17][CH:18]([CH:19]([CH3:20])[CH3:21])[C:22](=[O:23])[OH:24])[cH:25][cH:26]1.[Cl:27][C:28]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34].[OH2:51]>>[CH3:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][O:14][C:15](=[O:16])[NH:17][CH:18]([CH:19]([CH3:20])[CH3:21])[C:22](=[O:24])[NH:45][CH:43]([CH2:42][O:41][c:40]2[cH:39][cH:38][c:37]([C:35]#[N:36])[cH:47][cH:46]2)[CH3:44])[cH:25][cH:26]1