Bicarbonate Ion → HCID 59507045, compound

HRID 670115Notes

Reaction equation

HRID 670115 reaction equation
[C:50](=[O:51])([O-:52])[OH:53].[CH2:44]1[CH2:45][S:46][CH2:47][CH2:48][NH:49]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([N:15]([c:16]3[cH:17][c:18]([NH:22][C:23]([c:24]4[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]4)=[O:35])[cH:19][cH:20][cH:21]3)[CH3:36])[n: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]([N:15]([c:16]3[cH:17][c:18]([NH:22][C:23]([c:24]4[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]4)=[O:35])[cH:19][cH:20][cH:21]3)[CH3:36])[n:11][cH:12][c:13]2[n:14]1)[N:49]1[CH2:44][CH2:45][S:46][CH2:47][CH2:48]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 67164ThiomorpholineHCID 59507038HCID 59507038, compound

Product 1

HCID 59507045HCID 59507045, compound

Sources & evidence

ORD record
ord-d8a5fc8f8a044d79a69c0943f95f217a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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