Acetic Acid → HCID 19032425, compound

HRID 1568197Notes

Reaction equation

HRID 1568197 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([CH3:10])([CH3:11])[n:12]2[n:13][cH:14][n:15](-[c:18]3[cH:19][cH:20][c:21]([N:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]5)[CH2:28][CH2:29]4)[cH:22][cH:23]3)[c:16]2=[O:17])=[O:37])[cH:6][cH:7]1.[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:48][OH:49].[OH2:50]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9]([CH3:10])([CH3:11])[n:12]2[n:13][cH:14][n:15](-[c:18]3[cH:19][cH:20][c:21]([N:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][cH:32][c:33]([OH:36])[cH:34][cH:35]5)[CH2:28][CH2:29]4)[cH:22][cH:23]3)[c:16]2=[O:17])[OH:37])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 312751,4-DioxaneHCID 19032417HCID 19032417, compound

Product 1

HCID 19032425HCID 19032425, compound

Sources & evidence

ORD record
ord-f9357475dffc4ea1a6b07006197ddb19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…