Ammonium → HCID 58959992, compound

HRID 197469Notes

Reaction equation

HRID 197469 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:5][C:6]([C:7]([F:8])([F:9])[F:10])([CH2:11][C:12]([CH3:13])([CH3:14])[c:15]2[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[OH:24])[cH:25][cH:26][cH:27]1.[CH2:28]([OH:29])[CH2:30][CH2:31][OH:32].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[NH4+:58].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH-:59].[n:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1>>[c:2]1(-[c:35]2[cH:34][n:33][cH:38][cH:37][cH:36]2)[cH:3][c:4]([CH2:5][C:6]([C:7]([F:8])([F:9])[F:10])([CH2:11][C:12]([CH3:13])([CH3:14])[c:15]2[c:16]([O:22][CH3:23])[cH:17][cH:18][c:19]([F:21])[cH:20]2)[OH:24])[cH:25][cH:26][cH:27]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 1140TolueneHCID 104421,3-PropanediolHCID 19660Carbonate IonHCID 27343783-Pyridinylboronic acidHCID 10310475HCID 10310475, compound

Product 1

HCID 58959992HCID 58959992, compound

Sources & evidence

ORD record
ord-77b8f48602554d78baf8d84dd24ff646
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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