Acetate → HCID 25269436, compound

HRID 2324218Notes

Reaction equation

HRID 2324218 reaction equation
[C:45]([CH2:46][CH:47]([CH3:48])[CH3:49])(=[O:50])[Cl:51].[CH3:34][C:35](=[O:36])[O-:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[cH:10][c:11]([CH:25]([C:26](=[O:27])[OH:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[cH:14]2)[cH:6][cH:7]1.[Na+:33].[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([c:9]2[cH:10][c:11]([CH:25]([C:26](=[O:27])[OH:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[cH:14]2)[C:45]([CH2:46][CH:47]([CH3:48])[CH3:49])=[O:50])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 66054Isovaleryl chlorideHCID 57754989HCID 57754989, compound

Product 1

HCID 25269436HCID 25269436, compound

Sources & evidence

ORD record
ord-d7e6ddd79a5f4e739d2974639eaf1476
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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