HRID1143853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

9 次

HCID6344

Dichloromethane

CH2Cl2

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID17208

Benzyltriethylammonium

C13H22N+

HCID104810

Barium (II) ion

Ba+2

HCID3260419

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1

HCID11068728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d495a7e0e5432aa4f22b5b22f388d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Ba+2:31].[CH2:33]([Cl:34])[Cl:35].[CH2:44]([N+:45]([CH2:46][CH3:47])([CH2:48][CH3:49])[CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH3:57].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[NH:13][C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:37][N:38]([CH2:39][CH2:40][Cl:41])[CH3:42].[Cl-:43].[ClH:36].[OH-:30].[OH-:32].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:58]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[N:13]([CH2:40][CH2:39][N:38]([CH3:37])[CH3:42])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1