Ethanol → HCID 66759166, compound

HRID 2132566Notes

Reaction equation

HRID 2132566 reaction equation
[CH3:44][CH2:45][OH:46].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:41])[C:9]([CH3:39])([CH3:40])[CH2:10][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[c:18]4[c:19]([cH:28][cH:29][c:30]([O:32][CH2:33][CH2:34][O:35][C:36](=[O:37])[CH3:38])[cH:31]4)[O:20][CH2:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][n:27]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:43].[OH-:42].[OH2:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:41])[C:9]([CH3:39])([CH3:40])[CH2:10][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[c:18]4[c:19]([cH:28][cH:29][c:30]([O:32][CH2:33][CH2:34][OH:35])[cH:31]4)[O:20][CH2:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][n:27]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 66758364HCID 66758364, compound

Product 1

HCID 66759166HCID 66759166, compound

Sources & evidence

ORD record
ord-ba2122034cd6420bb0f362d8cf9c339e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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