HRID312751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8060

Pentan-1-amine

C5H13N

HCID31272

Butyl acetate

C6H12O2

结构：Cc1cc(C)c(S(=O)(=O)Oc2nc(N)nc(C)c2Cc2ccc(CC#N)cc2)c(C)c1

HCID86633409

未命名化合物

PRODUCTS

生成物

HCID59590638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2000ab88e1a74c30bc2b0a15b0a60490
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:39]([CH2:40][CH2:41][CH2:42][CH3:43])[NH2:44].[CH3:47][CH2:48][CH2:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][C:56]#[N:57].[NH2:8][c:9]1[n:10][c:11]([CH3:38])[c:12]([CH2:28][c:29]2[cH:30][cH:31][c:32]([CH2:35][C:36]#[N:37])[cH:33][cH:34]2)[c:13]([O:15][S:16]([c:17]2[c:18]([CH3:19])[cH:20][c:21]([CH3:22])[cH:23][c:24]2[CH3:25])(=[O:26])=[O:27])[n:14]1.[Na+:46].[OH-:45].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[NH2:8][c:9]1[n:10][c:11]([CH3:38])[c:12]([CH2:28][c:29]2[cH:30][cH:31][c:32]([CH2:35][C:36]#[N:37])[cH:33][cH:34]2)[c:13]([NH:44][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[n:14]1