HRID284401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6341

Ethanamine

C2H7N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1

HCID4652311

Pentafluorophenyl diphenylphosphinate

C18H10F5O2P

结构：Cc1ccc(-c2cn(CC(=O)O)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11496723

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Cn1cc(-c2ccc(C)c(C(=O)c3ccc(Nc4ccc(F)cc4F)cc3Cl)c2)nn1

HCID11598675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1e7ae4f6ec48698814baf462b54c76
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

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