Water → HCID 69515816, compound

HRID 1127523Notes

Reaction equation

HRID 1127523 reaction equation
[C:25]([CH3:26])(=[O:27])[Cl:28].[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH3:39].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([C:14]3([c:17]4[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]4)[CH2:15][CH2:16]3)[s:12][cH:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[OH2:29]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([C:14]3([c:17]4[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]4)[CH2:15][CH2:16]3)[s:12][c:13]2[C:25]([CH3:26])=[O:27])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6367Acetyl chlorideHCID 8003PentaneHCID 8028TetrahydrofuranHCID 69515674HCID 69515674, compound

Product 1

HCID 69515816HCID 69515816, compound

Sources & evidence

ORD record
ord-842fd6b2f96244178a6503e9849ff9b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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