HRID1566470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15291007

Oxolan-3-yl carbonochloridate

C5H7ClO3

HCID18972759

未命名化合物

PRODUCTS

生成物

结构：CC(COc1ccc(C#N)cc1)NC(=O)C(NC(=O)OC1CCOC1)C(C)C

HCID178458409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a1d1ae0c8b442f183461323c8dbc6e3
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:18](#[N:19])[c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][CH:26]([CH3:27])[NH:28][C:29]([CH:30]([NH2:31])[CH:32]([CH3:33])[CH3:34])=[O:35])[cH:36][cH:37]1.[CH2:39]([Cl:40])[Cl:41].[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[Cl:8][C:9](=[O:10])[O:11][CH:12]1[CH2:13][O:14][CH2:15][CH2:16]1.[ClH:17].[OH2:38]>>[C:9](=[O:10])([O:11][CH:12]1[CH2:13][O:14][CH2:15][CH2:16]1)[NH:31][CH:30]([C:29]([NH:28][CH:26]([CH2:25][O:24][c:23]1[cH:22][cH:21][c:20]([C:18]#[N:19])[cH:37][cH:36]1)[CH3:27])=[O:35])[CH:32]([CH3:33])[CH3:34]