Acetic Acid → HCID 173183448, compound

HRID 1140886Notes

Reaction equation

HRID 1140886 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.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:37][O:38][CH:39]1[CH2:40][NH:41][CH2:42]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[cH:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]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])[N:41]3[CH2:40][CH:39]([O:38][CH3:37])[CH2:42]3)[n:13]2)[CH2:8]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 241BenzeneHCID 1140TolueneHCID 8857Ethyl AcetateHCID 134019963-MethoxyazetidineHCID 16682925TrimethylaluminumHCID 173183371Ethyl 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxylate

Product 1

HCID 173183448HCID 173183448, compound

Sources & evidence

ORD record
ord-2de5b3cb9789449b9b64db2ca3d19b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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