Water → HCID 10275412, compound

HRID 192842Notes

Reaction equation

HRID 192842 reaction equation
[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[F:1][c:2]1[c:3]([CH2:15][C:16](=[O:17])[c:18]2[cH:19][c:20]([C:31]#[N:32])[n:21][n:22]2-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[cH:4][cH:5][c:6](-[n:8]2[c:9](=[O:14])[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[OH2:44].[S:33](=[O:34])([OH:35])([OH:36])=[O:37]>>[F:1][c:2]1[c:3]([CH2:15][C:16](=[O:17])[c:18]2[cH:19][c:20]([C:31]([NH2:32])=[O:34])[n:21][n:22]2-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[cH:4][cH:5][c:6](-[n:8]2[c:9](=[O:14])[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 22240395HCID 22240395, compound

Product 1

HCID 10275412HCID 10275412, compound

Sources & evidence

ORD record
ord-cbd21239c7a04e6d8e9945e2d5ec65ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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