Acetic Acid → HCID 178446502, compound

HRID 670301Notes

Reaction equation

HRID 670301 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[n:13]2)[CH2:8]1.[C:37]([CH3:38])([CH3:39])([CH3:40])[CH:41]([CH:42]([CH:43]([CH2:44][CH3:45])[CH3:46])[NH2:47])[O:48][SiH:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:62][C:63](=[O:64])[OH:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[cH:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[s:10][cH:11][c:12]([C:14](=[O:15])[NH:47][CH:42]([CH:41]([C:37]([CH3:38])([CH3:39])[CH3:40])[O:48][SiH:49]([c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH:43]([CH2:44][CH3:45])[CH3:46])[n:13]2)[CH2:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 241BenzeneHCID 8857Ethyl AcetateHCID 16682925TrimethylaluminumHCID 173183371Ethyl 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylateHCID 178446824HCID 178446824, compound

Product 1

HCID 178446502HCID 178446502, compound

Sources & evidence

ORD record
ord-f01ea66519a04dc98d8a475dcba0e5b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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