Acetic Acid → HCID 86610045, compound

HRID 686467Notes

Reaction equation

HRID 686467 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][CH2:9][O:10][CH2:11][n:12]2[c:13]([NH:21][CH:22]3[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:26][CH2:27]3)[n:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[n:7]1.[BrH:42].[CH3:38][CH:39]([OH:40])[CH3:41].[CH3:43][C:44](=[O:45])[OH:46]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][CH2:9][O:10][CH2:11][n:12]2[c:13]([NH:21][CH:22]3[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][NH2:30])[CH2:26][CH2:27]3)[n:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3776IsopropanolHCID 86610046HCID 86610046, compound

Product 1

HCID 86610045HCID 86610045, compound

Sources & evidence

ORD record
ord-5f3e6e33554745059921e0c8164fe919
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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