HRID1563650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

2 次

HCID6809

Phthalimide

C8H5NO2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

HCID23079221

2-[4-(Dipropylamino)butyl]-1-propyl-1H-benzimidazole-6-methanol

C21H35N3O

PRODUCTS

生成物

结构：CCCN(CCC)CCCCc1nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2n1CCC

HCID23155501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfc1373f826744fbb539a8a8c988657c
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

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