HRID87429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID78968

1,4-Dioxin

C4H4O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID58315432

2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C14H17ClN4O

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1

HCID59290959

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4=O)cn3)nc2n1C1CCCC1

HCID67241327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62143e1a71e04da7bff94580f37952ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][C:30](=[O:41])[N:31]([c:34]2[cH:35][n:36][c:37]([NH2:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[C:88](=[O:89])([O-:90])[O-:91].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][c:10]([Cl:13])[n:11][cH:12]2)[n:14]1[CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH3:20].[Cs+:92].[Cs+:93].[O-:101][C:102]([CH3:103])=[O:104].[O-:105][C:106]([CH3:107])=[O:108].[O:94]1[CH:95]=[CH:96][O:97][CH:98]=[CH:99]1.[Pd+2:100].[cH:42]1[cH:43][cH:44][c:45]([P:46]([c:47]2[cH:48][cH:49][c:50]3[c:51]([cH:52][cH:53][cH:54][cH:55]3)[c:56]2-[c:57]2[c:58]3[c:59]([cH:60][cH:61][cH:62][cH:63]3)[cH:64][cH:65][c:66]2[P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][c:10]([NH:40][c:37]3[n:36][cH:35][c:34]([N:31]4[C:30](=[O:41])[CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]4)[cH:39][cH:38]3)[n:11][cH:12]2)[n:14]1[CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH3:20]