Acetic Acid → HCID 178447279, compound

HRID 173289Notes

Reaction equation

HRID 173289 reaction equation
[CH3:62][C:63](=[O:64])[OH:65].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[OH2:66].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:50]2)([n:8]2[n:9][n:10][c:11](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][c:22]([CH2:25][N:26]([C:27]([CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[c:33]5[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][c:40]6[o:41][c:42](=[O:46])[o:43][c:44]6[CH3:45])[cH:47][cH:48][cH:49]5)[cH:23][cH:24]4)[cH:15][cH:16][cH:17][cH:18]3)[n:12]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[n:8]1[n:9][nH:10][c:11](-[c:13]2[c:14](-[c:19]3[cH:20][cH:21][c:22]([CH2:25][N:26]([C:27]([CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[c:33]4[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][c:40]5[o:41][c:42](=[O:46])[o:43][c:44]5[CH3:45])[cH:47][cH:48][cH:49]4)[cH:23][cH:24]3)[cH:15][cH:16][cH:17][cH:18]2)[n:12]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 312751,4-DioxaneHCID 23134784HCID 23134784, compound

Product 1

HCID 178447279HCID 178447279, compound

Sources & evidence

ORD record
ord-c3fc7aba7be8480ba2241a5c9152f706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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