HRID297768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

结构：COc1ccc(CCN2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1

HCID9842862

未命名化合物

HCID178506676

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN2CCC(C(O)(c3ccccc3)c3nc4ccccc4s3)CC2)cc1

HCID18930344

α-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]-α-phenyl-2-benzothiazolemethanol

C28H30N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86dc67bd182042609795ccbd4fde2e29
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

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