Bicarbonate Ion → HCID 59507012, compound

HRID 1549466Notes

Reaction equation

HRID 1549466 reaction equation
[C:50](=[O:51])([O-:52])[OH:53].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([O:15][c:16]3[cH:17][c:18]([NH:23][C:24]([c:25]4[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]4)=[O:35])[cH:19][cH:20][c:21]3[CH3:22])[cH:11][cH:12][c:13]2[n:14]1.[Na+:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([O:15][c:16]3[cH:17][c:18]([NH:23][C:24]([c:25]4[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]4)=[O:35])[cH:19][cH:20][c:21]3[CH3:22])[cH:11][cH:12][c:13]2[n:14]1)[N:47]1[CH2:46][CH2:45][N:44]([CH3:43])[CH2:49][CH2:48]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 531671-MethylpiperazineHCID 86645996HCID 86645996, compound

Product 1

HCID 59507012HCID 59507012, compound

Sources & evidence

ORD record
ord-85f0d96154c443e29188aed6bf0d6ddc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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