HRID700763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID95417

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

C17H14O

3 次

HCID22309454

[4-(Acetamidomethyl)phenyl]boronic acid

C9H12BNO3

HCID86641665

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCn1cc(CN2CCN(c3nccnc3-c3ccc(CNC(C)=O)cc3)CC2)c(C)n1

HCID59321790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-162ecbd7f22b49ddb167db0678bbf769
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

[B-:43]([F:44])([F:45])([F:46])[F:47].[C:23](=[O:24])([O-:25])[O-:26].[C:29]([CH3:30])(=[O:31])[NH:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[C:69](=[O:70])([OH:71])[O-:72].[CH2:48]([P:49]([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH3:60].[CH3:74][OH:75].[Cl-:61].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:22])[n:17][n:18]([CH2:20][CH3:21])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:27].[K+:28].[NH4+:62].[Na+:73].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:68].[Pd:76].[Pd:77]>>[ClH:1].[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][NH:32][C:29]([CH3:30])=[O:31])[cH:39][cH:38]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[c:16]([CH3:22])[n:17][n:18]([CH2:20][CH3:21])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1