Bicarbonate Ion → HCID 21426455, compound

HRID 145151Notes

Reaction equation

HRID 145151 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].[C:38]([CH3:39])([CH3:40])([CH3:41])[n:42]1[n:43][n:44][nH:45][c:46]1=[S:47].[CH:48]([O:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[K+:29].[Na+:37].[Na:1].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:55].[S-:30][C:31]#[N:32]>>[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:47][c:46]1[n:42]([C:38]([CH3:39])([CH3:40])[CH3:41])[n:43][n:44][n:45]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 9322ThiocyanateHCID 5360545SodiumHCID 21426457HCID 21426457, compoundHCID 178448769HCID 178448769, compound

Product 1

HCID 21426455HCID 21426455, compound

Sources & evidence

ORD record
ord-d879affef5aa43cf9d1a4cd308f40d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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