Ethyl Acetate → Chloride

HRID 2319060Notes

Reaction equation

HRID 2319060 reaction equation
[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:27][CH2:28][c:29]1[n:30][o:31][c:32](-[c:34]2[s:35][cH:36][cH:37][n:38]2)[n:33]1.[F:1][c:2]1[cH:3][c:4]([NH:8][CH:9]([C:10](=[O:11])[O:12][CH:13]2[CH2:14][N:15]3[CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20]3)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:5][cH:6][cH:7]1>>[Cl-:27].[F:1][c:2]1[cH:3][c:4]([NH:8][CH:9]([C:10](=[O:11])[O:12][CH:13]2[CH2:14][N+:15]3([CH2:28][c:29]4[n:30][o:31][c:32](-[c:34]5[s:35][cH:36][cH:37][n:38]5)[n:33]4)[CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20]3)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 58556944HCID 58556944, compoundHCID 67124695HCID 67124695, compound

Product 2

HCID 312ChlorideHCID 178524675HCID 178524675, compound

Sources & evidence

ORD record
ord-5ce9903f59f34314861156a725755126
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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