Bicarbonate Ion → HCID 20430423, compound

HRID 182727Notes

Reaction equation

HRID 182727 reaction equation
[C:55](=[O:56])([OH:57])[O-:58].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[NH2:10][CH:11]1[CH:12]2[S:13][CH2:14][C:15]([c:36]3[cH:37][n:38][c:39]([CH2:41][c:42]4[cH:43][n:44][cH:45][cH:46][cH:47]4)[s:40]3)=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[N:17]2[C:18]1=[O:19].[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[s:1]1[c:2]([CH2:6][C:7](=[O:8])[Cl:9])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][C:7](=[O:8])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([c:36]4[cH:37][n:38][c:39]([CH2:41][c:42]5[cH:43][n:44][cH:45][cH:46][cH:47]5)[s:40]4)=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])[cH:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 1623622-Thiopheneacetyl chlorideHCID 13960529HCID 13960529, compound

Product 1

HCID 20430423HCID 20430423, compound

Sources & evidence

ORD record
ord-3dec9b222a774211bb4dda3866344588
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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