Water → 4-[4-(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino)-3-methoxy-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 105221Notes

Reaction equation

HRID 105221 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([OH:11])[n:9][n:10]12.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][CH:31]([c:34]2[cH:35][c:36]([O:41][CH3:42])[c:37]([NH2:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:40][c:37]3[c:36]([O:41][CH3:42])[cH:35][c:34]([CH:31]4[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]4)[cH:39][cH:38]3)[n:9][n:10]12

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 57416157Tert-butyl 4-(4-amino-3-methoxyphenyl)piperidine-1-carboxylateHCID 178517419HCID 178517419, compound

Product 1

HCID 667116754-[4-(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino)-3-methoxy-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-70769806743043d1b2cee0da62fc9823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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