HRID112415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ncc(Br)cc12

HCID59272389

未命名化合物

PRODUCTS

生成物

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ncc(N3CCOCC3)cc12

HCID67242017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-305d1ff8c46d4f9a9deeee290aa2b0e8
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

[CH2:32]1[CH2:33][O:34][CH2:35][CH2:36][NH:37]1.[CH3:22][Si:23]([N-:24][Si:25]([CH3:26])([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:39].[Li+:31].[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([Br:19])[cH:17][c:18]12.[NH4+:40].[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH2:38].[Pd:41].[Pd:42]>>[NH2:1][C:2]1=[N:21][C:5]2([CH2:4][O:3]1)[c:6]1[cH:7][c:8]([OH:20])[cH:9][cH:10][c:11]1[O:12][c:13]1[n:14][cH:15][c:16]([N:37]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[cH:17][c:18]12