Ethanol → HCID 66758316, compound

HRID 165790Notes

Reaction equation

HRID 165790 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][cH:11][c:12]2[c:13]1[CH2:14][C:15](=[CH:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][C:29]([OH:32])([c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[CH2:30][CH2:31]1)[c:16]1[c:17]([n:18][cH:19][cH:20][cH:21]1)[O:22]2.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][OH:50].[OH-:40].[OH2:41]>>[OH:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][cH:10][cH:11][c:12]2[c:13]1[CH2:14][C:15](=[CH:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][C:29]([OH:32])([c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[CH2:30][CH2:31]1)[c:16]1[c:17]([n:18][cH:19][cH:20][cH:21]1)[O:22]2

Participants

6

Reactant 5

HCID 702EthanolHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 66757774HCID 66757774, compound

Product 1

HCID 66758316HCID 66758316, compound

Sources & evidence

ORD record
ord-c691c31253a544058dfb8b62ed57daa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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