HRID1218809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5067457

未命名化合物

HCID22110111

4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid

C10H8N2O3

结构：CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)cc1

HCID178482156

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3)cc2)n1

HCID178434728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ecac13e77304714b0edf4205bcbab9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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