HRID170624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID10296

(+/-)-2-Phenylpropionic acid

C9H10O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCCC1C(N)c1ccc(OCc2ccccc2)cc1

HCID67085817

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NC(c1ccc(OCc2ccccc2)cc1)C1CCCN1C(=O)OC(C)(C)C)c1ccccc1

HCID77292343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d65aeddd5759404e93580dc5ec6c3074
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

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