Bicarbonate Ion → HCID 60207819, compound

HRID 2332029Notes

Reaction equation

HRID 2332029 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([NH2:22])[cH:7][n:8][n:9]1-[c:10]1[n:11][cH:12][c:13]([CH3:21])[c:14](-[c:16]2[s:17][cH:18][cH:19][cH:20]2)[n:15]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Na+:75].[O-:71][C:72]([OH:73])=[O:74].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:23]1[cH:24][cH:25][c:26]([CH2:29][C:30](=[O:31])[OH:32])[cH:27][cH:28]1.[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([NH:22][C:30]([CH2:29][c:26]2[cH:25][cH:24][n:23][cH:28][cH:27]2)=[O:31])[cH:7][n:8][n:9]1-[c:10]1[n:11][cH:12][c:13]([CH3:21])[c:14](-[c:16]2[s:17][cH:18][cH:19][cH:20]2)[n:15]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 342284-Pyridineacetic acidHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 60207822HCID 60207822, compound

Product 1

HCID 60207819HCID 60207819, compound

Sources & evidence

ORD record
ord-f6f4a70b38cf4690b4ccdc4c5089f4d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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