Acetic Acid → HCID 178420392, compound

HRID 297018Notes

Reaction equation

HRID 297018 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:15]23[CH2:16][CH2:17][NH:18][CH2:19][CH:20]2[CH2:21][c:22]2[c:23]([n:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32]2)[CH2:24]3)[cH:12][cH:13][cH:14]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:38][C:39](=[O:40])[OH:41].[CH:33]1([CH:36]=[O:37])[CH2:34][CH2:35]1.[Na+:46].[OH2:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:15]23[CH2:16][CH2:17][N:18]([CH2:36][CH:33]4[CH2:34][CH2:35]4)[CH2:19][CH:20]2[CH2:21][c:22]2[c:23]([n:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[cH:32]2)[CH2:24]3)[cH:12][cH:13][cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 123114CyclopropanecarboxaldehydeHCID 178420391HCID 178420391, compound

Product 1

HCID 178420392HCID 178420392, compound

Sources & evidence

ORD record
ord-fe0e85e9a95e49aca44f2bfe15e38e69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…