HRID1226722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID12874682

2-Hydroxy-N,N-dimethylacetamide

C4H9NO2

结构：Nc1c(Cl)cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCC3C(=O)O)CC2)cc1C(F)(F)F

HCID66941556

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)COC(=O)C1CCCN1C1CCN(C(=O)C(Cc2cc(Cl)c(N)c(C(F)(F)F)c2)OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)CC1

HCID66941465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bda8f17391e4bcbaa995171d4a3a7cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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