Bicarbonate Ion → HCID 73092121, compound

HRID 158788Notes

Reaction equation

[C:101]([OH:102])([CH3:103])([CH3:104])[CH3:105].[C:79](=[O:80])([OH:81])[O-:82].[CH3:84][O:85][C:86]([CH3:87])([CH3:88])[CH3:89].[CH3:95][O:96][C:97]([CH3:98])([CH3:99])[CH3:100].[CH:6]1([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]3[C:23]([CH3:55])([O:56][CH:57]([O:58][CH2:59][CH3:60])[CH3:61])[CH2:24][CH2:25][CH:26]([OH:54])[CH2:27][C:28](=[O:29])[O:30][CH:31]([C:36](=[CH:37][CH:38]=[CH:39][C:40]([CH2:41][CH:42]4[CH:43]([CH:44]([CH:45]([CH2:46][CH3:47])[OH:48])[CH3:49])[O:50]4)([CH3:51])[OH:52])[CH3:53])[CH:32]([CH3:35])[CH:33]=[CH:34]3)[CH2:17][CH2:18]2)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Na+:83].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:90]1[CH2:91][CH2:92][CH2:93][CH2:94]1.[c:62]1([CH3:63])[cH:64][cH:65][c:66]([S:67]([O-:68])(=[O:69])=[O:70])[cH:71][cH:72]1.[nH+:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH:6]1([N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]3[C:23]([CH3:55])([OH:56])[CH2:24][CH2:25][CH:26]([OH:54])[CH2:27][C:28](=[O:29])[O:30][CH:31]([C:36](=[CH:37][CH:38]=[CH:39][C:40]([CH2:41][CH:42]4[CH:43]([CH:44]([CH:45]([CH2:46][CH3:47])[OH:48])[CH3:49])[O:50]4)([CH3:51])[OH:52])[CH3:53])[CH:32]([CH3:35])[CH:33]=[CH:34]3)[CH2:17][CH2:18]2)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

Reactant 8

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6386tert-Butanol

HCID 8028Tetrahydrofuran2×

HCID 15413tert-Butyl methyl ether2×

HCID 85570p-Toluenesulfonate

HCID 4989215Pyridinium

HCID 90902350HCID 90902350, compound

Product 1

HCID 73092121HCID 73092121, compound

Sources & evidence

ORD record: ord-f02631cf5be74ae98f6cb4249363218f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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