HRID1117157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CNC1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1

HCID551434

未命名化合物

HCID15093930

4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid

C8H11NO2S

PRODUCTS

生成物

结构：Cc1nc(C(C)C)sc1C(=O)N(C)C1CCC2(C)C(=CCC3C2CCC24CN(C)C(C)C2CCC34)C1

HCID67424144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a662efc6c2e42e3bc2e8a6a965c5be1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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