HRID1229372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID138335

1-Pyrrolidinecarboxamide

C5H10N2O

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID4574913

未命名化合物

HCID25016596

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(OCCn2nc(-c3ccccc3)ccc2=O)ccn1)N1CCCC1

HCID25016598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffbc485a6983472eb6555bbec759f40b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:39][C:40]1([CH3:41])[c:42]2[cH:43][cH:44][cH:45][c:46]([P:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[c:60]2[O:61][c:62]2[c:63]1[cH:64][cH:65][cH:66][c:67]2[P:68]([c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][n:11]2[n:12][c:13](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:14][cH:15][c:16]2=[O:17])[cH:7]1.[N:24]1([C:29](=[O:30])[NH2:31])[CH2:25][CH2:26][CH2:27][CH2:28]1.[Na+:38].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[O:90]1[CH2:91][CH2:92][O:93][CH2:94][CH2:95]1.[OH2:32].[Pd+2:81]>>[c:2]1([NH:31][C:29]([N:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)=[O:30])[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][CH2:10][n:11]2[n:12][c:13](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:14][cH:15][c:16]2=[O:17])[cH:7]1