HRID188803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID11424492

4-dimethylamino-4-phenylcyclohexanone

C14H19NO

HCID18409676

3-(Pyrrolidin-3-yl)-1H-indole

C12H14N2

PRODUCTS

生成物

结构：CN(C)C1(c2ccccc2)CCC(N2CCC(c3c[nH]c4ccccc34)C2)CC1

HCID11753987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57d059c69484575a47cd0f28508485d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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