HRID172169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID4453465

未命名化合物

HCID18931546

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(C)C(=O)N1CC2CC(CC#N)CC(O)(c3ccccc3OC)C2C1

HCID18931540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f197edf3cdb44bcaf5b1c1e62120668
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

[C:1](#[N:2])[CH2:3][CH:4]1[CH2:5][C:6]([OH:13])([c:14]2[c:15]([O:20][CH3:21])[cH:16][cH:17][cH:18][cH:19]2)[CH:7]2[CH2:8][NH:9][CH2:10][CH:11]2[CH2:12]1.[CH3:29][O:30][c:31]1[c:32]([CH:37]([C:38](=[O:39])[OH:40])[CH3:41])[cH:33][cH:34][cH:35][cH:36]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH:22]([NH:23][CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:65][CH2:66][Cl:67].[ClH:53].[OH2:42].[OH:43][c:44]1[c:45]2[n:46][n:47][nH:48][c:49]2[cH:50][cH:51][cH:52]1>>[C:1](#[N:2])[CH2:3][CH:4]1[CH2:5][C:6]([OH:13])([c:14]2[c:15]([O:20][CH3:21])[cH:16][cH:17][cH:18][cH:19]2)[CH:7]2[CH2:8][N:9]([C:38]([CH:37]([c:32]3[c:31]([O:30][CH3:29])[cH:36][cH:35][cH:34][cH:33]3)[CH3:41])=[O:39])[CH2:10][CH:11]2[CH2:12]1