HRID2310438

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

HCID3723812

4-(Methoxymethyl)phenylboronic acid

C8H11BO3

HCID59438245

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COCc1ccc(-c2nccnc2N2CCN(Cc3cnn(CCO)c3)CC2)cc1

HCID59321786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da5fb3f954be457aa6cc3376dbed6fe4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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