HRID672502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7396

Benzenesulfonyl chloride, 4-bromo-

C6H4BrClO2S

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

结构：CCOC(=O)C12CC1C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)N2

HCID76532633

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C12CC1C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(OS(=O)(=O)c3ccc(Br)cc3)CC1C(=O)N2

HCID76602499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56636e25855d429ebc11fe2223babf24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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