Acetic Acid → HCID 178446657, compound

HRID 175091Notes

Reaction equation

HRID 175091 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH2:7][c:8]1[n:9][cH:10][c:11]2[n:12]1[C:13](=[O:40])[N:14]([CH:16]1[CH2:17][CH2:18][N:19]([C:22](=[O:23])[CH:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[CH2:20][CH2:21]1)[CH2:15]2)([CH3:5])([CH3:41])[CH3:42].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:43][C:44](=[O:45])[OH:46].[OH2:47]>>[OH:6][CH2:7][c:8]1[n:9][cH:10][c:11]2[n:12]1[C:13](=[O:40])[N:14]([CH:16]1[CH2:17][CH2:18][N:19]([C:22](=[O:23])[CH:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[CH2:20][CH2:21]1)[CH2:15]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 178446658HCID 178446658, compound

Product 1

HCID 178446657HCID 178446657, compound

Sources & evidence

ORD record
ord-6357c6f37ebb4cb7af923ce25b4d8512
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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