HRID667172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID802

Indole-3-acetic acid

C10H9NO2

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID67714248

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)C(O)CC(C)(C)C2CN(C(=O)Cc3c[nH]c4ccccc34)CC21

HCID67714307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05d62673ab1c4ce18695f9ff0c4b5c63
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

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