Ethanol → HCID 57966530, compound

HRID 168849Notes

Reaction equation

HRID 168849 reaction equation
[CH3:33][CH2:34][OH:35].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([CH2:15][CH2:16][O:17][c:18]4[cH:19][c:20]([CH2:25][C:26]#[N:27])[cH:21][cH:22][c:23]4[CH3:24])[CH2:13][CH2:14]3)[s:8]2)[cH:28][cH:29]1.[Na+:31].[OH-:30].[OH2:32]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([CH2:15][CH2:16][O:17][c:18]4[cH:19][c:20]([CH2:25][C:26](=[O:30])[OH:32])[cH:21][cH:22][c:23]4[CH3:24])[CH2:13][CH2:14]3)[s:8]2)[cH:28][cH:29]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 57966701HCID 57966701, compound

Product 1

HCID 57966530HCID 57966530, compound

Sources & evidence

ORD record
ord-b445c64b7ce846b390010b3751a3876a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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