Bicarbonate Ion → HCID 178422886, compound

HRID 2125694Notes

Reaction equation

HRID 2125694 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([Br:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:38](=[O:39])([OH:40])[O-:41].[CH3:126][CH2:127][O:128][C:129](=[O:130])[CH3:131].[CH3:29][B:30]1[O:31][B:32]([CH3:33])[O:34][B:35]([CH3:36])[O:37]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Na+:23].[Na+:24].[Na+:42].[O-:25][C:26](=[O:27])[O-:28].[OH2:132].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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)[cH:124][cH:125]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([CH3:26])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 574072TrimethylboroxineHCID 87797446Tert-butyl 4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 178422886HCID 178422886, compound

Sources & evidence

ORD record
ord-42d390021d5a42aba9b57ed3445277d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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