Water → HCID 68515289, compound

HRID 192964Notes

Reaction equation

HRID 192964 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:1](=[CH:2][CH3:3])[c:4]1[c:5]([C:23](=[O:24])[OH:25])[n:6][n:7][n:8]1-[c:9]1[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][CH2:18][C:19]([F:20])([F:21])[F:22])[cH:13][cH:14]1.[CH:26]1([NH2:29])[CH2:27][CH2:28]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:58].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[CH:1](=[CH:2][CH3:3])[c:4]1[c:5]([C:23](=[O:24])[NH:29][CH:26]2[CH2:27][CH2:28]2)[n:6][n:7][n:8]1-[c:9]1[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][CH2:18][C:19]([F:20])([F:21])[F:22])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 69828CyclopropylamineHCID 757711-HydroxybenzotriazoleHCID 68515286HCID 68515286, compound

Product 1

HCID 68515289HCID 68515289, compound

Sources & evidence

ORD record
ord-9ebe6330a062463c92f07c97d6454778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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