Acetic Acid → HCID 178452771, compound

HRID 307601Notes

Reaction equation

HRID 307601 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:34])[N:14]([CH:17]2[CH:18]([C:31]([NH2:32])=[O:33])[CH2:19][CH:20]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22]2)[CH2:15][CH2:16]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][C:55]#[N:56].[I:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[OH2:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:34])[N:14]([CH:17]2[CH:18]([NH2:56])[CH2:19][CH:20]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 176Acetic Acid3×HCID 962WaterHCID 6342AcetonitrileHCID 11575IodobenzeneHCID 178452766HCID 178452766, compound

Product 1

HCID 178452771HCID 178452771, compound

Sources & evidence

ORD record
ord-1cc6dea3fbdb47bf80870c46b8a90546
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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