Acetic Acid → HCID 67095582, compound

HRID 692761Notes

Reaction equation

HRID 692761 reaction equation
[CH3:38][C:39]([OH:40])=[O:41].[Cl:1][c:2]1[c:3]([F:37])[c:4]([CH:8]2[N:9]([C:28](=[O:29])[c:30]3[cH:31][n:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[OH2:42]>>[Cl:1][c:2]1[c:3]([F:37])[c:4]([CH:8]2[N:9]([C:28](=[O:29])[c:30]3[cH:31][nH:32][c:33](=[O:40])[cH:34][cH:35]3)[CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 75632056HCID 75632056, compound

Product 1

HCID 67095582HCID 67095582, compound

Sources & evidence

ORD record
ord-4b5fab0ba2534a378773f938e65ae504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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