HRID144584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID104095

1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

C14H22N2O3

结构：COc1c(C)c(C)c2c(c1C)CCC(C)(CCOS(=O)(=O)c1ccc(C)cc1)O2

HCID13909422

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN2CCN(CCC3(C)CCc4c(C)c(OC)c(C)c(C)c4O3)CC2)cc(OC)c1OC

HCID20150407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1732a37abfaf468eaa1ea6e13bf1bd7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([CH3:29])[c:5]([CH3:28])[c:6]2[c:7]([c:26]1[CH3:27])[CH2:8][CH2:9][C:10]([CH3:12])([CH2:13][CH2:14][O:15][S:16]([c:17]1[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]1)(=[O:24])=[O:25])[O:11]2.[CH3:30][O:31][c:32]1[cH:33][c:34]([CH2:35][N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:42][c:43]([O:47][CH3:48])[c:44]1[O:45][CH3:46].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[OH2:56]>>[CH3:1][O:2][c:3]1[c:4]([CH3:29])[c:5]([CH3:28])[c:6]2[c:7]([c:26]1[CH3:27])[CH2:8][CH2:9][C:10]([CH3:12])([CH2:13][CH2:14][N:39]1[CH2:38][CH2:37][N:36]([CH2:35][c:34]3[cH:33][c:32]([O:31][CH3:30])[c:44]([O:45][CH3:46])[c:43]([O:47][CH3:48])[cH:42]3)[CH2:41][CH2:40]1)[O:11]2