HRID1547422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)Nc1ccc(Oc2ccnc(NCCN3CCOCC3)c2)c(F)c1)Nc1ccc(F)cc1

HCID59852917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85cba2b449094c4d817de36f2186604a
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

[B-:55]([F:56])([F:57])([F:58])[F:59].[CH3:86][O:87][c:88]1[cH:89][cH:90][c:91]([CH2:92][NH:93][c:94]2[n:95][c:96]([O:97][c:98]3[cH:99][cH:100][c:101]([NH:102][C:108]([CH2:109][C:110](=[O:111])[NH:112][c:113]4[cH:114][cH:115][c:116]([F:119])[cH:117][cH:118]4)=[O:120])[cH:103][c:104]3[F:105])[cH:106][cH:107][n:121]2)[cH:122][cH:123]1.[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[ClH:25].[NH2:1][c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:22][cH:23]1.[NH2:26][c:27]1[n:28][cH:29][n:30][c:31]([O:32][c:33]2[cH:34][cH:35][c:36]([NH:37][C:38]([NH:39][C:40](=[O:41])[CH2:42][c:43]3[cH:44][cH:45][c:46]([F:47])[cH:48][cH:49]3)=[S:50])[cH:51][c:52]2[F:53])[cH:54]1.[O:124]=[CH:125][N:126]([CH3:127])[CH3:128].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[NH:1]([c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:22][cH:23]1)[C:108]([CH2:109][C:110](=[O:111])[NH:112][c:113]1[cH:114][cH:115][c:116]([F:119])[cH:117][cH:118]1)=[O:120]