Bicarbonate Ion → HCID 178473193, compound

HRID 698025Notes

Reaction equation

[C-:132]#[N:133].[C-:135]#[N:136].[C:50](=[O:51])([O-:52])[OH:53].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([Br:42])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:137][CH2:138][O:139][C:140](=[O:141])[CH3:142].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Na+:54].[Zn+2:134].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([C:45]#[N:46])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21

Participants

Reactant 8

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 5975Cyanide2×

HCID 6228Dimethylformamide

HCID 8857Ethyl Acetate

HCID 32051Zinc(2+)

HCID 178420554HCID 178420554, compound

HCID 178473187HCID 178473187, compound

Product 1

HCID 178473193HCID 178473193, compound

Sources & evidence

ORD record: ord-adc93bf793264b3993f834618e6f316a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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