Acetic Acid → HCID 178440060, compound

HRID 2145183Notes

Reaction equation

HRID 2145183 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:55][CH2:56][CH3:57])[n:6]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:7]1[C:8](=[O:9])[O:10][CH2:11][O:12][C:13]([CH:14]([CH3:15])[CH3:16])=[O:17].[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][OH:63]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]([CH2:55][CH2:56][CH3:57])[n:6]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[nH:32][n:33][n:34][n:35]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:7]1[C:8](=[O:9])[O:10][CH2:11][O:12][C:13]([CH:14]([CH3:15])[CH3:16])=[O:17]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 887MethanolHCID 19026352HCID 19026352, compound

Product 1

HCID 178440060HCID 178440060, compound

Sources & evidence

ORD record
ord-2deb8d53855b483bb39c83f7ab241a6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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