Acetic Acid → HCID 173183469, compound

HRID 164627Notes

Reaction equation

HRID 164627 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[o:10][cH:11][c:12]([C:14]([O:15][CH2:16][CH3:17])=[O:18])[n:13]2)[CH2:8]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:37][NH2:38].[CH3:39][C:40](=[O:41])[OH:42].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]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[o:10][cH:11][c:12]([C:14]#[N:38])[n:13]2)[CH2:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 6329MethylamineHCID 16682925TrimethylaluminumHCID 173183367HCID 173183367, compound

Product 1

HCID 173183469HCID 173183469, compound

Sources & evidence

ORD record
ord-8ea2a71caee943ee9afe7a178274bb94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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