HRID137071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

结构：C#Cc1ccc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)cc1

HCID178436465

未命名化合物

HCID178447249

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(NC(=O)c1ccc(C#Cc2cnc3nc(NC(=O)C(C)(C)C)nc(O)c3c2)cc1)C(=O)OCC

HCID178471625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b18f5a793cd4fb98beebf99e9766195
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

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