HRID671111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID148011

Ethanamine, 2-(ethylthio)-

C4H11NS

结构：CCN(CC)CCCNc1nc(-c2cc(C(=O)O)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57434562

未命名化合物

PRODUCTS

生成物

结构：CCSCCNC(=O)c1ccc(C)c(-c2nc(NCCCN(CC)CC)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

HCID59212700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce381904711b479bb478ec379a826d4b
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

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