HRID135464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2

HCID4571243

2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

C18H39N4P

HCID4574913

未命名化合物

HCID51050526

未命名化合物

HCID51050527

6-(Methanesulfonyl)-2-methylpyridin-3-amine

C7H10N2O2S

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID11691484

ADP-597

C21H29N5O6S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9dde79d80e54703af06bb50708fab3d
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

[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH2:35]([N:36]1[CH2:37][CH2:38][N:39]2[CH2:40][CH2:41][N:42]([CH2:43][CH:44]([CH3:45])[CH3:46])[P:47]1[N:48]([CH2:49][CH:50]([CH3:51])[CH3:52])[CH2:53][CH2:54]2)[CH:55]([CH3:56])[CH3:57].[CH3:23][c:24]1[n:25][c:26]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:27][cH:28][c:29]1[NH2:30].[CH3:58][C:59]([O-:60])([CH3:61])[CH3:62].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:22])[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1.[Na+:63].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[Pd+2:74]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:30][c:29]3[c:24]([CH3:23])[n:25][c:26]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:27][cH:28]3)[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1.[ClH:22]