HRID1123605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID737253

4-(4-Methylpiperazino)aniline

C11H17N3

结构：CCS(=O)(=O)c1ncc(C(=O)c2ccccc2OC)c(N)n1

HCID11961965

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N

HCID11975203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9164f9b68a7043d58bb7f6a0ac8a87f3
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

[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[CH2:28][CH2:29]1.[CH:49]([OH:50])([CH3:51])[CH3:52].[NH2:1][c:2]1[n:3][c:4]([S:18]([CH2:19][CH3:20])(=[O:21])=[O:22])[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1.[OH2:37].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[NH2:1][c:2]1[n:3][c:4]([NH:34][c:33]2[cH:32][cH:31][c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]3)[cH:36][cH:35]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]1