Water → HCID 23442868, compound

HRID 1210525Notes

Reaction equation

HRID 1210525 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH:15]([CH3:16])[CH3:17])[cH:7][c:8]([OH:14])[cH:9][c:10]1[CH:11]([CH3:12])[CH3:13].[CH2:18]1[N:19]2[CH2:20][N:21]3[CH2:22][N:23]([CH2:24]2)[CH2:25][N:26]1[CH2:27]3.[OH2:28].[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH:15]([CH3:16])[CH3:17])[c:7]([CH:30]=[O:29])[c:8]([OH:14])[cH:9][c:10]1[CH:11]([CH3:12])[CH3:13]

Participants

5

Reactant 4

HCID 962WaterHCID 4101HexamethylenetetramineHCID 6422Trifluoroacetic acidHCID 14794455HCID 14794455, compound

Product 1

HCID 23442868HCID 23442868, compound

Sources & evidence

ORD record
ord-08c23647eac543baad4cf1ce2fa0080d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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