HRID692964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8060

Pentan-1-amine

C5H13N

HCID28486

Lithium ion

Li+

HCID31272

Butyl acetate

C6H12O2

结构：Cc1nc(N)nc(OS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1Cc1ccc(CC#N)cc1

HCID86647928

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-22fafea1212c4446b691bb18a097e2cc
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

[CH2:45]([CH2:46][CH2:47][CH2:48][CH3:49])[NH2:50].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:53][CH2:54][CH2:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Li+:52].[NH2:8][c:9]1[n:10][c:11]([CH3:44])[c:12]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH2:41][C:42]#[N:43])[cH:39][cH:40]2)[c:13]([O:15][S:16]([c:17]2[c:18]([CH:19]([CH3:20])[CH3:21])[cH:22][c:23]([CH:24]([CH3:25])[CH3:26])[cH:27][c:28]2[CH:29]([CH3:30])[CH3:31])(=[O:32])=[O:33])[n:14]1.[OH-:51].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[NH2:8][c:9]1[n:10][c:11]([CH3:44])[c:12]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH2:41][C:42]#[N:43])[cH:39][cH:40]2)[c:13]([NH:50][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[n:14]1