HRID2336432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID27695

1-Methyl-1H-indole-2-carboxylic acid

C10H9NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Cc1ccc(N)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1

HCID16118190

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1

HCID16116975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-812f371fae5e40a1a6080a252707fdcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:1][n:2]1[c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:83][OH:84].[CH3:85][S:86]([CH3:87])=[O:88].[NH2:47][c:48]1[cH:49][cH:50][c:51]([CH3:77])[c:52]([C:53](=[O:54])[NH:55][c:56]2[cH:57][n:58][c:59]([NH:62][c:63]3[cH:64][cH:65][c:66]([N:69]4[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]4)[cH:67][cH:68]3)[n:60][cH:61]2)[cH:76]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:1][n:2]1[c:3]([C:11](=[O:13])[NH:47][c:48]2[cH:49][cH:50][c:51]([CH3:77])[c:52]([C:53](=[O:54])[NH:55][c:56]3[cH:57][n:58][c:59]([NH:62][c:63]4[cH:64][cH:65][c:66]([N:69]5[CH2:70][CH2:71][N:72]([CH3:75])[CH2:73][CH2:74]5)[cH:67][cH:68]4)[n:60][cH:61]3)[cH:76]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12