Water → HCID 178488624, compound

HRID 2136462Notes

Reaction equation

HRID 2136462 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH:27]([NH2:32])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[NH2:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:8])[OH:9].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:38]>>[NH2:1][c:2]1[s:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:5][c:6]1[C:7](=[O:9])[NH:32][CH:27]1[CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:31][CH2:30][CH2:29][CH2:28]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 23068067tert-Butyl 3-aminoazepane-1-carboxylateHCID 689579752-Amino-5-(4-methoxy-phenyl)-thiophene-3-carboxylic acid

Product 1

HCID 178488624HCID 178488624, compound

Sources & evidence

ORD record
ord-0a1f10c536834f64af23163622f32520
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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