Bicarbonate Ion → HCID 22103390, compound

HRID 205683Notes

Reaction equation

HRID 205683 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][c:9]([CH3:35])[c:10]([O:11][CH2:12][CH2:13][CH2:14][CH:15]([O:16][C:17]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[S:25])[c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[c:32]([CH3:34])[cH:33]2)[n:5][n:6]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[N:36]#[C:37][C:38]([N:39]=[N:40][C:41]([C:42]#[N:43])([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Na+:52]>>[CH3:1][n:2]1[n:3][c:4](-[c:7]2[cH:8][c:9]([CH3:35])[c:10]([O:11][CH2:12][CH2:13][CH2:14][CH2:15][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[c:32]([CH3:34])[cH:33]2)[n:5][n:6]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 6547AzobisisobutyronitrileHCID 19426779HCID 19426779, compound

Product 1

HCID 22103390HCID 22103390, compound

Sources & evidence

ORD record
ord-82c9724a8ad84501a6f7f63e0962bd2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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