Water → HCID 12773506, compound

HRID 677223Notes

Reaction equation

HRID 677223 reaction equation
[CH2:21]([O:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH2:29][C:30]#[N:31])[cH:32][cH:33]1)[CH3:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[N:6]1([c:12]2[c:13]([CH:18]([CH3:19])[OH:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1.[OH2:41].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[N:6]1([c:12]2[c:13]([CH:18]=[CH2:19])[cH:14][cH:15][cH:16][cH:17]2)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1

Participants

6

Reactant 5

HCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 11989373ethyl 4-(cyanomethyl)benzoateHCID 12707338HCID 12707338, compound

Product 1

HCID 12773506HCID 12773506, compound

Sources & evidence

ORD record
ord-b1031b156a3842929322cd69d0b9d95f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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