Ethanol → HCID 178436172, compound

HRID 161069Notes

Reaction equation

HRID 161069 reaction equation
[Br:8][c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([CH2:21][O:22][CH:23]3[CH2:24][CH:25]([C:45](=[O:46])[O:47][CH3:48])[N:26]([C:28]([CH:29]([CH:30]4[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:27]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][CH2:56][OH:57].[OH2:58]>>[CH:1](=[CH2:2])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17]([CH2:21][O:22][CH:23]3[CH2:24][CH:25]([C:45](=[O:46])[O:47][CH3:48])[N:26]([C:28]([CH:29]([CH:30]4[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:27]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 178498540HCID 178498540, compound

Product 1

HCID 178436172HCID 178436172, compound

Sources & evidence

ORD record
ord-bba0530b6b774920b32e491855f3fca8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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