Bicarbonate Ion → HCID 178449417, compound

HRID 170837Notes

Reaction equation

HRID 170837 reaction equation
[C:88](=[O:89])([OH:90])[O-:91].[CH2:83]1[O:84][CH2:85][CH2:86][CH2:87]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Na+:92].[O:62]=[C:63]([O:64][CH:65]([CH3:66])[CH3:67])[N:68]=[N:69][C:70]([O:71][CH:72]([CH3:73])[CH3:74])=[O:75].[OH:38][CH2:39][CH2:40][CH2:41][OH:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[nH:1]1[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:41][CH2:40][CH2:39][OH:38])[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 8028TetrahydrofuranHCID 104421,3-PropanediolHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 76731685tert-butyl 3-[1H-benzimidazole-2-carbonyl(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

Product 1

HCID 178449417HCID 178449417, compound

Sources & evidence

ORD record
ord-e1b08bd7c3374d83bbe44b2a187c767e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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