HRID285035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID98654

Benzonitrile, 4-(bromoacetyl)-

C9H6BrNO

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

HCID66674956

未命名化合物

结构：C=C(NC(Cc1ccccc1)c1nc(-c2ccc(C(N)=O)cc2)c[nH]1)c1ccc(C#N)cc1NCC

HCID178463812

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(-c2c[nH]c(C(N)Cc3ccccc3)n2)cc1

HCID178513611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9faf4ab114864c1ab4b50bdd8e3d4cd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:70][CH2:71][C:72]([c:73]1[cH:74][cH:75][c:76]([C:77]#[N:78])[cH:79][cH:80]1)=[O:81].[C:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[CH2:7])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[nH:21][cH:22][c:23](-[c:25]3[cH:26][cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33]3)[n:24]2)[c:8]([NH:9][CH2:10][CH3:34])[cH:35]1)#[N:36].[C:37]([c:38]1[c:39]([NH:40][CH2:41][CH3:42])[c:43]([C:47]([OH:48])=[O:49])[cH:44][cH:45][cH:46]1)#[N:50].[C:51]([NH:52][CH:53]([C:54]([OH:55])=[O:56])[CH2:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69].[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[CH3:87][CH2:88][N:89]([CH2:90][CH3:91])[CH2:92][CH3:93]>>[NH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[nH:21][cH:22][c:23](-[c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH2:31])[cH:32][cH:33]2)[n:24]1