HRID155776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID425305

STK256619

C13H16NOS+

HCID9877562

5-bromopyridine-2-carbaldehyde

C6H4BrNO

结构：C=CC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID59331258

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1)c1ccc(Br)cn1

HCID59331348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ede0cac39e424eb0af259907b2452e08
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

[Br:25][c:26]1[cH:27][cH:28][c:29]([CH:32]=[O:33])[n:30][cH:31]1.[CH2:45]([n+:46]1[c:47]([CH3:48])[c:49]([CH2:50][CH2:51][OH:52])[s:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][OH:43].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH:15]=[CH2:16])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:44]>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:32]([c:29]3[cH:28][cH:27][c:26]([Br:25])[cH:31][n:30]3)=[O:33])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1