Bicarbonate Ion → HCID 21426472, compound

HRID 2154681Notes

Reaction equation

HRID 2154681 reaction equation
[C:2]([O:3][CH2:6][C:7]1=[C:8]([C:26](=[O:27])[OH:28])[N:9]2[C:10](=[O:25])[CH:11]([NH:15][C:16]([CH2:17][c:18]3[s:19][c:20](=[O:23])[s:21][cH:22]3)=[O:24])[CH:12]2[S:13][CH2:14]1)(=[O:4])[CH3:5].[C:33](=[O:34])([OH:35])[O-:36].[CH:50]([O:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[K+:29].[Na+:37].[Na:1].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:57].[S-:30][C:31]#[N:32].[c:38]1(-[n:44]2[n:45][n:46][nH:47][c:48]2=[S:49])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:6]([C:7]1=[C:8]([C:26](=[O:27])[OH:28])[N:9]2[C:10](=[O:25])[CH:11]([NH:15][C:16]([CH2:17][c:18]3[s:19][c:20](=[O:23])[s:21][cH:22]3)=[O:24])[CH:12]2[S:13][CH2:14]1)[S:49][c:48]1[n:44](-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:45][n:46][n:47]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 9322ThiocyanateHCID 5360545SodiumHCID 21426457HCID 21426457, compoundHCID 178527916HCID 178527916, compound

Product 1

HCID 21426472HCID 21426472, compound

Sources & evidence

ORD record
ord-9e84984c3b104528ae726c9046ccd7c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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