HRID2124694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：CC1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)O)CC3)n21

HCID67389230

未命名化合物

HCID67390113

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNC(=O)C1(NC(=O)C2(NC(=O)c3cnc4n3C(C)(Cc3ccc(C#N)cc3)C(=O)N4c3cc(Cl)cc(Cl)c3)CC2)CC1

HCID67390184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0451c1c1bc1b4dbb889d46b7ca23823e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:34])[C:9](=[O:33])[N:10]([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:23])[OH:24])[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:35][cH:36]1.[C:58]([CH3:59])([CH3:60])([CH3:61])[O:62][C:63](=[O:64])[NH:65][NH:66][C:67](=[O:68])[C:69]1([NH2:72])[CH2:70][CH2:71]1.[CH2:47]([Cl:48])[CH2:49][Cl:50].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:78][N:79]([c:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1)[CH3:86].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:87].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:34])[C:9](=[O:33])[N:10]([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][C:19]2([C:22](=[O:24])[NH:72][C:69]4([C:67]([NH:66][NH:65][C:63]([O:62][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:64])=[O:68])[CH2:70][CH2:71]4)[CH2:20][CH2:21]2)[cH:14][n:15]3)[cH:35][cH:36]1