HRID1117103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1CCN(c2ccc(C(=O)O)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1

HCID46928120

未命名化合物

结构：Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12

HCID66737002

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(C(=O)Nc3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(S(=O)(=O)c5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1

HCID86643843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-970bdbb9eab64fd19a5d5654e474e7b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][c:17]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[CH2:13][CH2:14]1.[CH3:95][N:96]([CH3:97])[CH:98]=[O:99].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:37][C:38]([C:39]([Cl:40])=[O:41])=[O:42].[Cl:92][CH2:93][Cl:94].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:52][c:53]1[cH:54][c:55]([S:60](=[O:61])(=[O:62])[c:63]2[cH:64][c:65]3[c:66]([NH2:91])[n:67][n:68]([C:72]([c:73]4[cH:74][cH:75][cH:76][cH:77][cH:78]4)([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:85]4[cH:86][cH:87][cH:88][cH:89][cH:90]4)[c:69]3[cH:70][cH:71]2)[cH:56][c:57]([F:59])[cH:58]1>>[CH3:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[cH:16][c:17]([N:24]([C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:18]([C:19](=[O:21])[NH:91][c:66]3[c:65]4[cH:64][c:63]([S:60]([c:55]5[cH:54][c:53]([F:52])[cH:58][c:57]([F:59])[cH:56]5)(=[O:61])=[O:62])[cH:71][cH:70][c:69]4[n:68]([C:72]([c:73]4[cH:74][cH:75][cH:76][cH:77][cH:78]4)([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:85]4[cH:86][cH:87][cH:88][cH:89][cH:90]4)[n:67]3)[cH:22][cH:23]2)[CH2:13][CH2:14]1