Bicarbonate Ion → HCID 59506989, compound

HRID 1237594Notes

Reaction equation

HRID 1237594 reaction equation
[C:52](=[O:53])([O-:54])[OH:55].[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+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[S:44]1(=[O:50])(=[O:51])[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]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:47]1[CH2:46][CH2:45][S:44](=[O:50])(=[O:51])[CH2:49][CH2:48]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 6484228Thiomorpholine 1,1-dioxideHCID 59507038HCID 59507038, compound

Product 1

HCID 59506989HCID 59506989, compound

Sources & evidence

ORD record
ord-995ca9ceb6e24dea94e9d33fb2e3fd6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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