Water → HCID 86585992, compound

HRID 143067Notes

Reaction equation

HRID 143067 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](=[O:15])[Cl:16])[CH2:12][CH2:13]1.[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][SH:31])[cH:28][cH:29]2)[cH:32][cH:33]1.[OH2:34].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[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](=[O:15])[S:31][CH2:30][c:27]2[cH:26][cH:25][c:24]([O:23][CH2:22][c:21]3[cH:20][cH:19][c:18]([F:17])[cH:33][cH:32]3)[cH:29][cH:28]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 11334154Tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylateHCID 22219894HCID 22219894, compound

Product 1

HCID 86585992HCID 86585992, compound

Sources & evidence

ORD record
ord-786db641742744ecb66bd8a85202cfe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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