Acetate → HCID 57477647, compound

HRID 2336219Notes

Reaction equation

HRID 2336219 reaction equation
[C:36]([OH:37])([CH3:38])([CH3:39])[CH3:40].[CH3:1][C:2](=[O:3])[O-:4].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:5]1([C:10](=[CH:11][C:12]#[N:13])[c:14]2[o:15][c:16](-[c:19]3[c:20]4[c:21]([n:22][cH:23][n:24]3)[n:25]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:26][cH:27]4)[cH:17][n:18]2)[CH2:6][CH2:7][CH2:8][CH2:9]1>>[CH:5]1([CH:10]([CH2:11][C:12]#[N:13])[c:14]2[o:15][c:16](-[c:19]3[c:20]4[c:21]([n:22][cH:23][n:24]3)[n:25]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:26][cH:27]4)[cH:17][n:18]2)[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 175AcetateHCID 1140TolueneHCID 6386tert-ButanolHCID 66597658HCID 66597658, compound

Product 1

HCID 57477647HCID 57477647, compound

Sources & evidence

ORD record
ord-a648f97fe07e40a0a2de1f140c263075
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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