HRID200720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2762870

5-phenylpyridine-2-carboxylic Acid

C12H9NO2

结构：CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2

HCID77221430

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1ccc(-c2ccccc2)cn1

HCID75083866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6de4c6b49934403dacdda06e9230482b
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

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