Acetic Acid → HCID 20826899, compound

HRID 670413Notes

Reaction equation

HRID 670413 reaction equation
[C:49]([OH:50])(=[O:51])[CH3:52].[CH3:26][O:27][c:28]1[cH:29][c:30]([NH2:46])[cH:31][c:32]([O:44][CH3:45])[c:33]1[O:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[n:10][c:11]3[c:12]([nH:13]2)[cH:14][cH:15][cH:16][cH:17]3)[c:18]2[c:19]([CH3:25])[cH:20][cH:21][cH:22][c:23]2[CH3:24])[n:7]1.[Na+:48].[OH-:47]>>[c:2]1([NH:46][c:30]2[cH:29][c:28]([O:27][CH3:26])[c:33]([O:34][CH2:35][CH2:36][N:37]3[CH2:38][CH2:39][N:40]([CH3:43])[CH2:41][CH2:42]3)[c:32]([O:44][CH3:45])[cH:31]2)[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[nH:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][cH:17]3)[c:18]2[c:19]([CH3:25])[cH:20][cH:21][cH:22][c:23]2[CH3:24])[n:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 11844757HCID 11844757, compoundHCID 22326811HCID 22326811, compound

Product 1

HCID 20826899HCID 20826899, compound

Sources & evidence

ORD record
ord-9da2f050fcc14b6199ef0b717c3cdad6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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