HRID692926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2761054

1-(Bromomethyl)-4-chloro-2-(methanesulfonyl)benzene

C8H8BrClO2S

HCID59011970

未命名化合物

PRODUCTS

生成物

结构：COc1ncnc2sc(NC(=O)N3CCN(Cc4ccc(Cl)cc4S(C)(=O)=O)CC3)nc12

HCID24831719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86adaa4ef5994ceeb5be6b6323e6a879
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

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