HRID1541084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID643216

Thiophene-3,4-diamine

C4H6N2S

HCID4641409

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

C10H15N6O+

结构：CN(C)CCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)O)cc1

HCID67049897

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2cscc2N)cc1

HCID67049894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c70cb427818347a5b6e59bf185b080b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1)[NH:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][c:21]2[c:25]([cH:26][cH:27]1)[CH2:24][CH2:23][CH2:22]2)[CH3:28].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:29].[ClH:30].[NH2:31][c:32]1[cH:33][s:34][cH:35][c:36]1[NH2:37].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[NH:31][c:32]2[cH:33][s:34][cH:35][c:36]2[NH2:37])[cH:13][cH:14]1)[NH:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][c:21]2[c:25]([cH:26][cH:27]1)[CH2:24][CH2:23][CH2:22]2)[CH3:28]