Water → HCID 58456382, compound

HRID 205275Notes

Reaction equation

HRID 205275 reaction equation
[CH3:50][C:51]#[N:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49].[OH2:53].[OH:1][CH2:2][CH2:3][O:4][C:5]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([N:25]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[c:33]4[n:34][cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]4)[cH:21][c:22]([CH3:24])[cH:23]3)[cH:16][n:17]2)[CH2:6][CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1>>[OH:1][CH2:2][CH2:3][O:4][C:5]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([NH:25][c:33]4[n:34][cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]4)[cH:21][c:22]([CH3:24])[cH:23]3)[cH:16][n:17]2)[CH2:6][CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 67261316HCID 67261316, compound

Product 1

HCID 58456382HCID 58456382, compound

Sources & evidence

ORD record
ord-cc156551945540c6891a12d97ffdc1c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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