Bicarbonate Ion → HCID 136063671, compound

HRID 1208061Notes

Reaction equation

HRID 1208061 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH3:43][C:44]#[N:45].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:1]1([CH:7]([CH2:8][n:9]2[c:10]3[n:11]([c:12]([CH2:35][CH2:36][CH3:37])[c:13]([CH2:16][c:17]4[cH:18][cH:19][c:20](-[c:23]5[c:24](-[c:29]6[n:30][o:31][c:32](=[O:34])[nH:33]6)[cH:25][cH:26][cH:27][cH:28]5)[cH:21][cH:22]4)[c:14]2=[O:15])[n:38][c:39]([CH3:41])[n:40]3)[OH:42])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:50].[Na+:61].[Na+:62].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[S:56]([O-:57])([O-:58])(=[O:59])=[S:60]>>[CH:1]1([C:7]([CH2:8][n:9]2[c:10]3[n:11]([c:12]([CH2:35][CH2:36][CH3:37])[c:13]([CH2:16][c:17]4[cH:18][cH:19][c:20](-[c:23]5[c:24](-[c:29]6[n:30][o:31][c:32](=[O:34])[nH:33]6)[cH:25][cH:26][cH:27][cH:28]5)[cH:21][cH:22]4)[c:14]2=[O:15])[n:38][c:39]([CH3:41])[n:40]3)=[O:42])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 962Water5×HCID 1084Thiosulfate ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 136063915HCID 136063915, compound

Product 1

HCID 136063671HCID 136063671, compound

Sources & evidence

ORD record
ord-1a1a46cf34d14121b6fd6736150dc50b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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