Acetate → HCID 57477647, compound

HRID 202982Notes

Reaction equation

HRID 202982 reaction equation
[C:62]([OH:63])([CH3:64])([CH3:65])[CH3:66].[CH3:12][c:13]1[c:14]([CH:15]=[CH:16][C:17]#[N:18])[cH:19][n:20](-[c:21]2[cH:22][cH:23][n:24][c:25]3[nH:26][cH:27][cH:28][c:29]23)[n:30]1.[CH3:1][C:2](=[O:3])[O-:4].[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[CH:31]1([C:36](=[CH:37][C:38]#[N:39])[c:40]2[o:41][c:42](-[c:45]3[c:46]4[c:47]([n:48][cH:49][n:50]3)[n:51]([CH2:54][O:55][CH2:56][CH2:57][Si:58]([CH3:59])([CH3:60])[CH3:61])[cH:52][cH:53]4)[cH:43][n:44]2)[CH2:32][CH2:33][CH2:34][CH2:35]1.[F:5][C:6]([F:7])([F:8])[C:9]([OH:10])=[O:11]>>[CH:31]1([CH:36]([CH2:37][C:38]#[N:39])[c:40]2[o:41][c:42](-[c:45]3[c:46]4[c:47]([n:48][cH:49][n:50]3)[n:51]([CH2:54][O:55][CH2:56][CH2:57][Si:58]([CH3:59])([CH3:60])[CH3:61])[cH:52][cH:53]4)[cH:43][n:44]2)[CH2:32][CH2:33][CH2:34][CH2:35]1

Participants

7

Reactant 6

HCID 175AcetateHCID 1140TolueneHCID 6386tert-ButanolHCID 6422Trifluoroacetic acidHCID 66597468HCID 66597468, compoundHCID 66597658HCID 66597658, compound

Product 1

HCID 57477647HCID 57477647, compound

Sources & evidence

ORD record
ord-6440cccba1354829bc982124e7167880
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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