HRID118577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID947

Nitrogen

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID53430726

未命名化合物

结构：CC(O[Si](C)(C)C(C)(C)C)c1ncc(Cn2ncc(N)n2)o1

HCID67366051

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2cnn(Cc3cnc(C(C)O[Si](C)(C)C(C)(C)C)o3)n2)c(-c2cccc(Cl)c2)o1

HCID67365084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c2e8e8facdc422b88d28db04d059487
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:33]([CH3:34])([CH3:35])([CH3:36])[Si:37]([O:38][CH:39]([CH3:40])[c:41]1[o:42][c:43]([CH2:46][n:47]2[n:48][cH:49][c:50]([NH2:52])[n:51]2)[cH:44][n:45]1)([CH3:53])[CH3:54].[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[Cl:3][c:4]1[cH:5][c:6](-[c:10]2[c:11]([C:16](=[O:17])[OH:18])[n:12][c:13]([CH3:15])[o:14]2)[cH:7][cH:8][cH:9]1.[Cl:55][CH2:56][Cl:57].[N:1]#[N:2].[OH2:67].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[Cl:3][c:4]1[cH:5][c:6](-[c:10]2[c:11]([C:16](=[O:18])[NH:52][c:50]3[cH:49][n:48][n:47]([CH2:46][c:43]4[o:42][c:41]([CH:39]([O:38][Si:37]([C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:53])[CH3:54])[CH3:40])[n:45][cH:44]4)[n:51]3)[n:12][c:13]([CH3:15])[o:14]2)[cH:7][cH:8][cH:9]1