HRID1574568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7854

Propionitrile

C3H5N

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID59277555

未命名化合物

HCID59456954

7-Bromo-1,3,4,5-tetrahydro-2H-pyrido[2,3-e][1,4]diazepin-2-one

C8H8BrN3O

PRODUCTS

生成物

结构：CCCOc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CNCC(=O)N3)cccc1C(C)C

HCID66967223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157a9f31e1a5488fae8b7feaa413bbe7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:30][c:31]1[cH:32][c:33]2[c:34]([n:41][cH:42]1)[NH:35][C:36](=[O:40])[CH2:37][NH:38][CH2:39]2.[C:43](#[N:44])[CH2:45][CH3:46].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH2:11])=[O:12])[CH3:13])[cH:14][cH:15][cH:16]1.[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[Pd+2:53]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH:11][c:31]2[cH:32][c:33]3[c:34]([n:41][cH:42]2)[NH:35][C:36](=[O:40])[CH2:37][NH:38][CH2:39]3)=[O:12])[CH3:13])[cH:14][cH:15][cH:16]1