Water → HCID 69065512, compound

HRID 198702Notes

Reaction equation

HRID 198702 reaction equation
[C:34]([Cl:35])(=[O:36])[C:37]([Cl:38])=[O:39].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:40][CH:41]1[O:42][CH:43]([CH3:47])[CH2:44][NH:45][CH2:46]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([n:9]2[c:10]([CH:22]=[CH:23][C:24](=[O:25])[OH:26])[c:11]([C:20]#[N:21])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[CH3:18])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:6][cH:7]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:60]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([n:9]2[c:10]([CH:22]=[CH:23][C:24](=[O:25])[N:45]3[CH2:44][CH:43]([CH3:47])[O:42][CH:41]([CH3:40])[CH2:46]3)[c:11]([C:20]#[N:21])[c:12]3[c:13]2[n:14][c:15]([CH3:19])[cH:16][c:17]3[CH3:18])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 1108622,6-DimethylmorpholineHCID 69055516HCID 69055516, compound

Product 1

HCID 69065512HCID 69065512, compound

Sources & evidence

ORD record
ord-aad00df9f32c49d99e125f8995453a75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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