Ethanol → (+/-)-{3-[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-amino]-propyl}-carbamic acid tert-butyl ester

HRID 2159325Notes

Reaction equation

HRID 2159325 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26]([NH:27][CH2:28][CH2:29][CH2:30][NH2:31])=[O:32].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:19]=[O:20])[n:10][n:11]2[c:12]([c:13]1=[O:14])[c:15]([Cl:18])[cH:16][cH:17]2.[CH3:33][CH2:34][OH:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH2:19][NH:31][CH2:30][CH2:29][CH2:28][NH:27][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:32])[n:10][n:11]2[c:12]([c:13]1=[O:14])[c:15]([Cl:18])[cH:16][cH:17]2

Participants

4

Reactant 3

HCID 702EthanolHCID 2735700tert-Butyl (3-aminopropyl)carbamateHCID 221800693-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde

Product 1

HCID 69591865(+/-)-{3-[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-amino]-propyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-ce42bac0f7af4c1885d8db2108f20e0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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