Hydroxide → HCID 25263017, compound

HRID 206169Notes

Reaction equation

HRID 206169 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([C:17]([O:19][CH2:18][CH3:20])=[O:21])[n:8]([CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:9]1.[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[Li+:23].[NH2:49][c:50]1[cH:51][c:52]([S:56](=[O:57])(=[O:58])[NH2:59])[cH:53][cH:54][cH:55]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH-:22].[OH2:24].[OH2:65].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([C:17](=[O:19])[NH:49][c:50]2[cH:51][c:52]([S:56](=[O:57])(=[O:58])[NH2:59])[cH:53][cH:54][cH:55]2)[n:8]([CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:9]1

Participants

10

Reactant 9

HCID 961HydroxideHCID 962Water2×HCID 6228DimethylformamideHCID 7377Benzenesulfonamide, 3-amino-HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57659740HCID 57659740, compound

Product 1

HCID 25263017HCID 25263017, compound

Sources & evidence

ORD record
ord-c724ee832ea74f4a834a5e2cd51d4b0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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