Water → HCID 178426022, compound

HRID 109917Notes

Reaction equation

HRID 109917 reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:32])([CH3:33])[CH2:19][N:20]([c:24]2[c:25]([CH3:31])[cH:26][cH:27][c:28]([F:30])[cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:34]1[O:35][C:36](=[O:40])[CH:37]([CH3:39])[CH2:38]1)=[O:41].[CH3:42][C:43]([CH2:44][NH2:45])([CH3:46])[CH3:47].[OH2:48].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([NH:14][CH:15]([CH2:16][N:17]1[C:18]([CH3:32])([CH3:33])[CH2:19][N:20]([c:24]2[c:25]([CH3:31])[cH:26][cH:27][c:28]([F:30])[cH:29]2)[C:21](=[O:23])[CH2:22]1)[CH:34]([OH:35])[CH2:38][CH:37]([C:36](=[O:40])[NH:45][CH2:44][C:43]([CH3:42])([CH3:46])[CH3:47])[CH3:39])=[O:41]

Participants

5

Reactant 4

HCID 962WaterHCID 79882NeopentylamineHCID 178426020HCID 178426020, compoundHCID 178516071HCID 178516071, compound

Product 1

HCID 178426022HCID 178426022, compound

Sources & evidence

ORD record
ord-f423b1b1fdf5408eab3bb4fb97648493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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