HRID179687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

HCID95417

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

C17H14O

反应SMILES：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

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(Cl)c3)cn2)cc1

HCID45258863

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(N4CCOCC4)c3)cn2)cc1

HCID59244662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f851f795d5144b1b91606f1592426977
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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