Water → HCID 66905361, compound

HRID 168353Notes

Reaction equation

HRID 168353 reaction equation
[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:9][c:10]1[cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[NH2:20])[cH:21][cH:22]2)[cH:23][c:24]([Cl:50])[c:25]1[CH2:26][CH:27]1[C:28](=[O:49])[N:29]([N:32]2[CH2:33][CH2:34][CH:35]([O:38][Si:39]([CH:40]([CH3:41])[CH3:42])([CH:43]([CH3:44])[CH3:45])[CH:46]([CH3:47])[CH3:48])[CH2:36][CH2:37]2)[CH2:30][CH2:31]1.[F:2][C:3]([F:4])([F:5])[C:6]([OH:7])=[O:8].[OH2:1]>>[Cl:9][c:10]1[cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[NH2:20])[cH:21][cH:22]2)[cH:23][c:24]([Cl:50])[c:25]1[CH2:26][CH:27]1[C:28](=[O:49])[N:29]([N:32]2[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]2)[CH2:30][CH2:31]1

Participants

6

Reactant 5

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 66904917HCID 66904917, compound

Product 1

HCID 66905361HCID 66905361, compound

Sources & evidence

ORD record
ord-9cff5656104f4487b4af8778dbabd9fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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