Dimethylformamide → 4-(4-Chloro-[1,2,5]thiadiazol-3-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 2158593Notes

Reaction equation

HRID 2158593 reaction equation
[Cl:15][c:16]1[n:17][s:18][n:19][c:20]1[Cl:21].[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26]>>[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][N:4]([c:20]2[c:16]([Cl:15])[n:17][s:18][n:19]2)[CH2:5][CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 798043,4-Dichloro-1,2,5-thiadiazoleHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylate

Product 1

HCID 590139534-(4-Chloro-[1,2,5]thiadiazol-3-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-292b3879b8dc42c895c4cb8673aafd12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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