HRID296156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID6329

Methylamine

CH5N

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：CN(C(=O)c1cc2c(s1)-c1ccc(Br)cc1OCC2)c1cc(C(=O)N2CC(O)C2)ccc1Cl

HCID58204028

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3cc(C(=O)N4CC(O)C4)ccc3Cl)sc1-2

HCID58204264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-429e537254404f3292954881a15ca3a1
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:32])[cH:21][cH:22][c:23]([C:25](=[O:26])[N:27]3[CH2:28][CH:29]([OH:31])[CH2:30]3)[cH:24]2)[cH:14]1.[C:37]([O-:38])([O-:39])=[O:40].[CH3:34][NH2:35].[CH3:43][S:44]([CH3:45])=[O:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[ClH:36].[Na+:41].[Na+:42].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[Pd+2:59]>>[c:2]1([C:37]([NH:35][CH3:34])=[O:40])[cH:3][cH:4][c:5]2[c:6]([cH:33]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[c:20]([Cl:32])[cH:21][cH:22][c:23]([C:25](=[O:26])[N:27]3[CH2:28][CH:29]([OH:31])[CH2:30]3)[cH:24]2)[cH:14]1