HRID197993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID22105569

未命名化合物

结构：CNCCCN(C)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483792

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)s1)C(=O)COC1Cc2ccccc2C12CCN(CCC1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID178483783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1cd98dfd661464090e01dbea00d3cad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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