HRID92481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID428213

4-amino-N-[3-(dimethylamino)propyl]benzamide

C12H19N3O

结构：CN1C(=O)C(F)(F)CN(C2CCC2)c2nc(Cl)ncc21

HCID86637503

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCC2)CC(F)(F)C(=O)N3C)cc1

HCID44547495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebfdb608ca974239b58190cb83e08000
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

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