HRID1143408

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

HCID29923092

5-(3-Methylphenyl)-1,3-oxazole-4-carboxylic acid

C11H9NO3

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：Cc1cccc(-c2ocnc2C(=O)Nc2cnn(Cc3cnc(C(C)O[Si](C)(C)C(C)(C)C)o3)n2)c1

HCID67366449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2c2eb2ab54543e7aedc51ed25b6c9be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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