Acetic Acid → HCID 178441608, compound

HRID 1555088Notes

Reaction equation

HRID 1555088 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([CH:47]=[C:48]2[C:49](=[O:55])[NH:50][C:51](=[O:54])[N:52]2[CH3:53])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18](-[c:23]3[n:24][n:25][n:26][n:27]3[C:28]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[CH3:56][OH:57].[CH3:58][C:59](=[O:60])[OH:61].[OH2:62]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([CH:47]=[C:48]2[C:49](=[O:55])[NH:50][C:51](=[O:54])[N:52]2[CH3:53])[n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18](-[c:23]3[n:24][n:25][n:26][nH:27]3)[cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 54450286HCID 54450286, compound

Product 1

HCID 178441608HCID 178441608, compound

Sources & evidence

ORD record
ord-d67d13dc45ee42868dcb2798a91f0c8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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