HRID179760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID980

4-Nitrophenol

C6H5NO3

结构：O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

HCID54343

Daltroban

C16H16ClNO4S

HCID3386966

Imidazolate

C3H3N2-

HCID178509299

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1nnn[nH]1

HCID178520264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f8a194de8404c33b03fd0a9fb19deac
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

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