HRID664892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID66057

2-Methylpiperazine

C5H12N2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID16217985

2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

C30H43O2P

HCID23233570

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CCN1

HCID123438777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f317af46f894d7bac80d3507ab7bb26
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:8][c:9]1[cH:10][cH:11][c:12]([C:15]([C:16]([F:17])([F:18])[F:19])([C:20]([F:21])([F:22])[F:23])[OH:24])[cH:13][cH:14]1.[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][NH:6][CH2:7]1.[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([O:47][CH:48]([CH3:49])[CH3:50])[cH:51][cH:52][cH:53][c:54]2[O:55][CH:56]([CH3:57])[CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Na+:30].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:64].[Pd:65].[Pd:66]>>[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][N:6]([c:9]2[cH:10][cH:11][c:12]([C:15]([C:16]([F:17])([F:18])[F:19])([C:20]([F:21])([F:22])[F:23])[OH:24])[cH:13][cH:14]2)[CH2:7]1