HRID936888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4742003

1-(1,3-Benzodioxol-5-yl)piperazine

C11H14N2O2

结构：CCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(Cl)n1

HCID23568620

未命名化合物

PRODUCTS

生成物

结构：CCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1

HCID23568594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e18153e67e0424eb7c8c5fce6193c34
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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