HRID309502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1810419

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C10H11ClN2O

HCID3805301

1-(5-chloropyridin-2-yl)piperazine

C9H12ClN3

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1CCCN1CCN(c2ccc(Cl)cn2)CC1

HCID9885785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06248917a0cc48ffb5d9ccea3917ab35
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

[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[Cl:14][CH2:15][CH2:16][CH2:17][n:18]1[c:19](=[O:27])[nH:20][c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2.[N:1]1([c:7]2[n:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[N:1]1([c:7]2[n:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([CH2:15][CH2:16][CH2:17][n:18]2[c:19](=[O:27])[nH:20][c:21]3[c:22]2[cH:23][cH:24][cH:25][cH:26]3)[CH2:5][CH2:6]1