HRID107863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID269722

1-(4-Methoxyphenyl)piperazine

C11H16N2O

结构：COc1ccc(Cc2ncc(CCl)c3cc(OC)c(OC)cc23)cc1OC

HCID13560529

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(Cc3cnc(Cc4ccc(OC)c(OC)c4)c4cc(OC)c(OC)cc34)CC2)cc1

HCID13560537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a34e7899e6748d0806e1edc67a08234
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

[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:35][cH:36]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6]([CH2:17][c:18]2[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:7]2[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][c:12]12.[ClH:28].[OH2:54]>>[CH2:2]([c:3]1[cH:4][n:5][c:6]([CH2:17][c:18]2[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]2)[c:7]2[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][c:12]12)[N:40]1[CH2:39][CH2:38][N:37]([c:34]2[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:36][cH:35]2)[CH2:42][CH2:41]1