HRID147713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

反应SMILES：Cn1c(=O)[nH]c2nc(Cl)n(Cc3ccccc3C#N)c2c1=O

HCID57514540

未命名化合物

反应SMILES：CC(=O)Nc1ccccc1C(=O)Cn1c(=O)c2c(nc(N3CCCC(NC(=O)OC(C)(C)C)C3)n2CC=C(C)C)n(C)c1=O

HCID66723763

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2C#N)n(-c2ccccc2)c1=O

HCID66754015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a56fd849e0ba46e7ad638f3a9807deb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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