Ethanol → HCID 22185042, compound

HRID 135714Notes

Reaction equation

HRID 135714 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[CH2:14][c:15]2[n:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]([O:34][CH3:35])[c:24]2[C:25](=[O:26])[NH:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:10][CH2:11]1.[CH3:44][CH2:45][OH:46].[Li+:37].[Na+:43].[OH-:36].[OH2:47].[S:38](=[O:39])(=[O:40])([OH:41])[O-:42]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12](=[O:13])[CH2:14][c:15]2[n:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]([O:34][CH3:35])[c:24]2[C:25](=[O:26])[NH:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:10][CH2:11]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 61778Sulfate, hydrogenHCID 22184843HCID 22184843, compound

Product 1

HCID 22185042HCID 22185042, compound

Sources & evidence

ORD record
ord-5dab466de29340ce9ac293977f3dff40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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