Ethanol → HCID 86753854, compound

HRID 188990Notes

Reaction equation

HRID 188990 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][c:15]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:16][cH:17][cH:18]3)[n:9][cH:10][n:11]2)[cH:26][cH:27][cH:28]1.[CH3:37][CH2:38][OH:39].[OH2:36].[OH:29][CH2:30][CH2:31][NH:32][CH2:33][CH2:34][OH:35]>>[CH3:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][c:15]([O:19][CH2:20][C:21](=[O:22])[N:32]([CH2:31][CH2:30][OH:29])[CH2:33][CH2:34][OH:35])[cH:16][cH:17][cH:18]3)[n:9][cH:10][n:11]2)[cH:26][cH:27][cH:28]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 8113DiethanolamineHCID 70187500HCID 70187500, compound

Product 1

HCID 86753854HCID 86753854, compound

Sources & evidence

ORD record
ord-4594b1bf95e94f5d83cbaedbdeb4db04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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