HRID94513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6809

Phthalimide

C8H5NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C#N)cc23)cc1Cl

HCID9888568

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nnc(N3CCC(N4C(=O)c5ccccc5C4=O)CC3)c3ccc(C#N)cc23)cc1Cl

HCID22744511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51f0597b340740699e716ef0e096d49a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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