HRID198013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

2 次

HCID802

Indole-3-acetic acid

C10H9NO2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID19047650

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2C(C(=O)Cc3c[nH]c4ccccc34)NCC21

HCID67736917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6076552bf9d4a6f815f8ddd70fc1f16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]=[N:9][CH2:10][CH3:11].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl-:77].[Cl:78][CH2:79][Cl:80].[ClH:19].[ClH:75].[Na+:76].[OH2:64].[OH:65][n:66]1[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1.[c:20]1([C:26]2([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:27][CH:28]([OH:44])[C:29]([OH:35])([c:36]3[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]3)[CH:30]3[CH2:31][NH:32][CH2:33][CH:34]23)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[nH:51]1[cH:52][c:53]([CH2:60][C:61](=[O:62])[OH:63])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]12>>[c:20]1([C:26]2([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[CH2:27][CH:28]([OH:44])[C:29]([OH:35])([c:36]3[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]3)[CH:30]3[CH2:31][NH:32][CH:33]([C:61]([CH2:60][c:53]4[cH:52][nH:51][c:59]5[c:54]4[cH:55][cH:56][cH:57][cH:58]5)=[O:62])[CH:34]23)[cH:21][cH:22][cH:23][cH:24][cH:25]1