HRID108887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID117295

1-Ethylpyrrolidin-2-ylmethylamine

C7H16N2

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)O)c1)N2

HCID67441976

未命名化合物

PRODUCTS

生成物

结构：CCN1CCCC1CNC(=O)c1cccc(C2Nc3ccc(C(=O)OC)cc3CC2(C)C)c1

HCID67442755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26f1d2c10915405cb09ae998dd3396df
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

[CH2:55]([CH3:56])[N:57]1[CH:58]([CH2:62][NH2:63])[CH2:59][CH2:60][CH2:61]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[Cl:64][CH2:65][Cl:66].[ClH:36].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:63][CH2:62][CH:58]3[N:57]([CH2:55][CH3:56])[CH2:61][CH2:60][CH2:59]3)[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2