Acetate → HCID 18753325, compound

HRID 1550911Notes

Reaction equation

HRID 1550911 reaction equation
[C:1]([Li:2])([CH3:3])([CH3:4])[CH3:5].[C:6](#[N:7])[c:8]1[c:9]([C:35]([F:36])([F:37])[F:38])[cH:10][c:11]([N:14]2[CH2:15][CH:16]([CH3:34])[N:17]([C:21](=[O:22])[NH:23][c:24]3[cH:25][n:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]3)[CH2:18][CH:19]2[CH3:20])[cH:12][cH:13]1.[CH2:39]([B:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:53][C:54](=[O:55])[O-:56].[CH3:69][CH2:70][CH2:71][CH2:72][CH3:73].[NH2:57][O:58][S:59]([OH:60])(=[O:61])=[O:62].[Na+:52].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:63]>>[C:6](#[N:7])[c:8]1[c:9]([C:35]([F:36])([F:37])[F:38])[cH:10][c:11]([N:14]2[CH2:15][CH:16]([CH3:34])[N:17]([C:21](=[O:22])[NH:23][c:24]3[cH:25][n:26][c:27]([S:30](=[O:31])(=[O:32])[NH2:57])[cH:28][cH:29]3)[CH2:18][CH:19]2[CH3:20])[cH:12][cH:13]1

Participants

10

Reactant 9

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 8003PentaneHCID 8028TetrahydrofuranHCID 31216TributylboraneHCID 76284hydroxylamine-O-sulfonic acidHCID 18753356HCID 18753356, compoundHCID 178418306HCID 178418306, compound

Product 1

HCID 18753325HCID 18753325, compound

Sources & evidence

ORD record
ord-6092e7a61ff54bf9b8511069407d88f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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