HRID671448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID318057

2-chloro-N-methylquinazolin-4-amine

C9H8ClN3

HCID2826723

azanide

H2N-

结构：NCC1CCC(CNS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)CC1

HCID68850536

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CNc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID57716087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-113cc811c317438e9cd4b46f9f0c1654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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