Water → HCID 178500422, compound

HRID 2137565Notes

Reaction equation

HRID 2137565 reaction equation
[CH3:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:20])[OH:21])[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[F:22][CH:23]1[CH2:24][CH:25]([CH2:28][O:29][CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[NH:26][CH2:27]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH3:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:20])[N:26]2[CH:25]([CH2:28][O:29][CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[CH2:24][CH:23]([F:22])[CH2:27]2)[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 17858958Methyl 5-[(4-fluoropyrrolidin-2-yl)methoxy]pentanoateHCID 235083152-(2-(O-tolylamino)benzo[d]oxazol-6-yl)acetic acid

Product 1

HCID 178500422HCID 178500422, compound

Sources & evidence

ORD record
ord-547cffb5fb7046e8a85282d92dc32731
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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