Water → HCID 178450603, compound

HRID 1126833Notes

Reaction equation

HRID 1126833 reaction equation
[CH3:17][C:18]([CH2:19][OH:20])([CH2:21][NH2:22])[CH3:23].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:24].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]1[C:7]1=[C:8]([CH2:9][CH2:10][CH2:11]2)[C:12](=[O:13])[O:14][C:15]1=[O:16]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:6]1[C:7]([C:15]([OH:14])=[O:16])=[C:8]([C:12]([OH:13])=[N:22][CH2:21][C:18]([CH3:17])([CH2:19][OH:20])[CH3:23])[CH2:9][CH2:10][CH2:11]2

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 1173261-Propanol, 3-amino-2,2-dimethyl-HCID 54435650HCID 54435650, compound

Product 1

HCID 178450603HCID 178450603, compound

Sources & evidence

ORD record
ord-ca5779f59b684f8fbb5eb1c259860bf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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