HRID169651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID4400782

4-(Dimethylamino)benzoyl chloride

C9H10ClNO

HCID58859705

未命名化合物

PRODUCTS

生成物

结构：CC1CC(NC(=O)OCc2ccccc2)c2ccccc2N1C(=O)c1ccc(N(C)C)cc1

HCID58859841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4385476cb6114cf2ae7f6cbdf042430e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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