HRID98917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID25332

2-Aminoadamantane

C10H17N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(Cl)ccc1-n1ncc(C(=O)O)c1C(C)(C)C

HCID59516085

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1-n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C(C)(C)C

HCID59516130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d2b539b023d4e29a5464fb7359315df
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:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[c:30]([C:42](=[O:43])[OH:44])[cH:31][n:32][n:33]1-[c:34]1[c:35]([CH3:41])[cH:36][c:37]([Cl:40])[cH:38][cH:39]1.[CH2:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[CH3:63].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH:14]12[CH:15]([NH2:24])[CH:16]3[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]1)[CH2:22]3)[CH2:23]2.[ClH:13].[ClH:1].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[CH:14]12[CH:15]([NH:24][C:42]([c:30]3[c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[n:33](-[c:34]4[c:35]([CH3:41])[cH:36][c:37]([Cl:40])[cH:38][cH:39]4)[n:32][cH:31]3)=[O:43])[CH:16]3[CH2:17][CH:18]([CH2:19][CH:20]([CH2:21]1)[CH2:22]3)[CH2:23]2