Water → HCID 58614726, compound

HRID 2325108Notes

Reaction equation

HRID 2325108 reaction equation
[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([N:18]3[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]3)[n:15][c:16]2[CH3:17])[cH:6][cH:7]1.[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43].[OH2:44]>>[Cl:1][c:2]1[c:3](-[c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:4][c:5]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:15][c:16]2[CH3:17])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 66878672HCID 66878672, compound

Product 1

HCID 58614726HCID 58614726, compound

Sources & evidence

ORD record
ord-e4c6aaaa589c40c59d8af26a0a876615
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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