Water → (3-{3-[4-(4-Amino-quinazolin-7-ylmethyl)-3-oxo-piperazin-1-yl]-prop-1-ynyl}-pyridin-4-yl)-carbamic acid tert-butyl ester

HRID 136398Notes

Reaction equation

HRID 136398 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([NH:29][c:30]1[c:31]([I:36])[cH:32][n:33][cH:34][cH:35]1)=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cu:57][I:58].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:22])[CH2:15][N:16]([CH2:19][C:20]#[CH:21])[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:22])[CH2:15][N:16]([CH2:19][C:20]#[C:21][c:31]4[c:30]([NH:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:37])[cH:35][cH:34][n:33][cH:32]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 10903275(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl esterHCID 538421351-(4-Amino-quinazolin-7-ylmethyl)-4-prop-2-ynyl-piperazin-2-one

Product 1

HCID 69026971(3-{3-[4-(4-Amino-quinazolin-7-ylmethyl)-3-oxo-piperazin-1-yl]-prop-1-ynyl}-pyridin-4-yl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-4d4030ac623942e78632f327579c31a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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