Ethanol → HCID 10814700, compound

HRID 2340898Notes

Reaction equation

HRID 2340898 reaction equation
[CH3:47][CH2:48][OH:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][c:10]3[c:11]([s:14][c:15]4[n:16][c:17]([CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[c:18]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[c:19](-[c:21]5[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]5)[c:20]34)[CH2:12][CH2:13]2)[cH:42][cH:43]1.[K+:45].[OH-:44].[OH2:46]>>[NH:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]3[n:16][c:17]([CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[c:18]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[c:19](-[c:21]4[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][cH:26]4)[c:20]23)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 10651542HCID 10651542, compound

Product 1

HCID 10814700HCID 10814700, compound

Sources & evidence

ORD record
ord-5831b0802c814f5fb29899cf4c90e6a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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