HRID665717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID712

Formaldehyde

CH2O

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID105144

Palladium(2+)

Pd+2

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3cc(Br)c(CO)nc3N12

HCID178430751

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3cc4c(nc3N12)COC4=O

HCID178430748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-581b7664a552478a824a5837ed50a33c
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

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