Water → HCID 54401423, compound

HRID 152916Notes

Reaction equation

HRID 152916 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([NH2:21])[c:17]([Cl:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:31][CH2:32][C:33](=[O:34])[Cl:35].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16]([NH:21][C:33]([CH2:32][Cl:31])=[O:34])[c:17]([Cl:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 962WaterHCID 6577Chloroacetyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 54324264HCID 54324264, compound

Product 1

HCID 54401423HCID 54401423, compound

Sources & evidence

ORD record
ord-9ba2a966f8a74989835a886101ee63e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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