HRID700756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID22990051

未命名化合物

结构：Cc1ccc(-c2ccc3nc(C)c(C(=O)O)cc3c2)cc1

HCID22990203

6-(4-Methylphenyl)-2-methylquinoline-3-carboxylic acid

C18H15NO2

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3nc(C)c(C(=O)NC4CCC(CN(C)C5CCOCC5)CC4)cc3c2)cc1

HCID22990146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18064a9286cc419fb53562deddeef8f0
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

[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH2:62]1[CH2:63][CH2:64][C:65]2=[N:70][CH2:69][CH2:68][CH2:67][N:66]2[CH2:71][CH2:72]1.[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:8][c:9]2[cH:10][c:11]1[C:12](=[O:13])[OH:14].[CH3:46][N:47]([CH:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1)[CH2:54][CH:55]1[CH2:56][CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]1.[CH3:73][C:74]#[N:75].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[ClH:32].[ClH:44].[ClH:45].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:8][c:9]2[cH:10][c:11]1[C:12](=[O:13])[NH:61][CH:58]1[CH2:57][CH2:56][CH:55]([CH2:54][N:47]([CH3:46])[CH:48]2[CH2:49][CH2:50][O:51][CH2:52][CH2:53]2)[CH2:60][CH2:59]1