HRID85887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8056

1,4-Dibromobutane

C4H8Br2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2)S(=O)(=O)c1cn(C)cn1

HCID59547775

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2)S(=O)(=O)c1cn(C)cn1

HCID59547762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82889401197547038c7d0857e85d5f5c
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

[Br:34][CH2:35][CH2:36][CH2:37][CH2:38][Br:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][c:6]2[cH:7][cH:8][c:9]([O:20][CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]3[n:28][cH:29][n:30]([CH3:32])[cH:31]3)[CH3:33])[cH:10][c:11]2[CH:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH2:47]>>[ClH:1].[N:2]1([CH:3]2[CH2:4][CH2:5][c:6]3[cH:7][cH:8][c:9]([O:20][CH2:21][CH2:22][N:23]([S:24](=[O:25])(=[O:26])[c:27]4[n:28][cH:29][n:30]([CH3:32])[cH:31]4)[CH3:33])[cH:10][c:11]3[CH:12]2[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:35][CH2:36][CH2:37][CH2:38]1