HRID101533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

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

HCID3487654

2-Boc-amino-3,3-diphenyl propionic acid

C20H23NO4

HCID22674585

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(Cc1ccccc1OC)C(=O)C(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

HCID178501574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d132b20d39ed4d73847dd31a4f1d6dcc
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

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][CH:37]([CH:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[C:51](=[O:52])[OH:53].[CH3:14][O:15][C:16]([CH2:17][NH:18][CH2:19][c:20]1[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]1)=[O:28].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[Cl:73][CH2:74][Cl:75].[ClH:13].[ClH:1].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH3:14][O:15][C:16]([CH2:17][N:18]([CH2:19][c:20]1[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]1)[C:51]([CH:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[CH:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:52])=[O:28]