HRID702133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID18054

1-Phenylpropan-1-amine

C9H13N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10869045

未命名化合物

PRODUCTS

生成物

结构：CCCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NC(CC)c1ccccc1

HCID178446764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13ce7eca8b2f4a74a903850dab21376e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH:42]([CH:43]([C:44](=[O:45])[OH:46])[OH:47])[CH2:48][CH2:49][CH2:50][CH3:51].[CH3:13][N:14]([CH3:15])[CH2:16][CH2:17][CH2:18][N:19]=[C:20]=[N:21][CH2:22][CH3:23].[Cl:52][CH2:53][Cl:54].[ClH:12].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1.[c:24]1([CH:30]([CH2:31][CH3:32])[NH2:33])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:24]1([CH:30]([CH2:31][CH3:32])[NH:33][C:44]([CH:43]([CH:42]([NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[CH2:48][CH2:49][CH2:50][CH3:51])[OH:47])=[O:45])[cH:25][cH:26][cH:27][cH:28][cH:29]1