HRID289874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

结构：CS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1

HCID23145175

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2C(N)=O)cc1

HCID11408943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2afd1048a34c4fff903e6910652e447d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:17]([Cl:18])[Cl:19].[CH3:10][Si:11]([CH3:12])([CH3:13])[N:14]=[C:15]=[O:16].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][n:8]1)[CH3:9].[CH3:20][S:21](=[O:22])(=[O:23])[c:24]1[cH:25][cH:26][c:27]([O:28][c:29]2[cH:30][c:31]3[c:32]([nH:33][c:34](-[c:36]4[n:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:42][c:43]2[CH:44]2[NH:45][CH2:46][CH2:47][CH2:48]2)[cH:49][cH:50]1.[OH2:51]>>[NH2:14][C:15](=[O:16])[N:45]1[CH:44]([c:43]2[c:29]([O:28][c:27]3[cH:26][cH:25][c:24]([S:21]([CH3:20])(=[O:22])=[O:23])[cH:50][cH:49]3)[cH:30][c:31]3[c:32]([nH:33][c:34](-[c:36]4[n:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:42]2)[CH2:48][CH2:47][CH2:46]1