Bicarbonate Ion → HCID 86761178, compound

HRID 1575917Notes

Reaction equation

HRID 1575917 reaction equation
[C:80](=[O:81])([OH:82])[O-:83].[CH3:3][O:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]1[cH:14][c:15]([CH2:18][O:19][CH:20]1[CH:21]([c:37]3[cH:38][cH:39][c:40]([O:43][c:44]4[cH:45][c:46]5[c:47]([cH:53][cH:54]4)[N:48]([CH3:52])[CH2:49][CH2:50][O:51]5)[cH:41][cH:42]3)[CH:22]([OH:36])[CH2:23][N:24]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[CH2:25]1)[cH:16][cH:17]2.[H-:1].[Na+:2].[Na+:84].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[c:55]1([CH3:56])[cH:57][cH:58][c:59]([S:60]([O:61][CH2:65][CH2:66][N:67]([S:68](=[O:69])(=[O:70])[c:71]2[cH:72][cH:73][c:74]([CH3:77])[cH:75][cH:76]2)[CH3:78])(=[O:62])=[O:63])[cH:64][cH:79]1>>[CH3:3][O:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][O:11][c:12]2[c:13]1[cH:14][c:15]([CH2:18][O:19][CH:20]1[CH:21]([c:37]3[cH:38][cH:39][c:40]([O:43][c:44]4[cH:45][c:46]5[c:47]([cH:53][cH:54]4)[N:48]([CH3:52])[CH2:49][CH2:50][O:51]5)[cH:41][cH:42]3)[CH:22]([O:36][CH2:65][CH2:66][N:67]([S:68](=[O:69])(=[O:70])[c:71]3[cH:72][cH:73][c:74]([CH3:77])[cH:75][cH:76]3)[CH3:78])[CH2:23][N:24]([S:26](=[O:27])(=[O:28])[c:29]3[cH:30][cH:31][c:32]([CH3:35])[cH:33][cH:34]3)[CH2:25]1)[cH:16][cH:17]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 101216p-Toluenesulfonamide, N-(2-hydroxyethyl)-N-methyl-, p-toluenesulfonateHCID 166653HydrideHCID 68574628HCID 68574628, compound

Product 1

HCID 86761178HCID 86761178, compound

Sources & evidence

ORD record
ord-72a75be62b794d51ac9a62c2defb6434
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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