HRID813923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

结构：CSc1nc(-c2cccc(NC(=O)CBr)c2)c2c(N)c(C(=O)NC(C)(C)C)ccc2n1

HCID69039014

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2cccc(NC(=O)CN3CCOCC3)c2)c2c(N)c(C(=O)NC(C)(C)C)ccc2n1

HCID91109176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb410bd875ff4d9f80d2b87cff0cc27c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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