Acetonitrile → 4-[6-(3-Diethylamino-prop-1-ynyl)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-isopropoxy-phenyl)-amide

HRID 1537445Notes

Reaction equation

HRID 1537445 reaction equation
[CH2:38]([CH3:39])[NH:40][CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[n:21][cH:22][n:23][c:24]4[cH:25][cH:26][c:27]([C:30]#[C:31][CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:28][c:29]34)[CH2:18][CH2:19]2)[cH:9][cH:10]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[n:21][cH:22][n:23][c:24]4[cH:25][cH:26][c:27]([C:30]#[C:31][CH2:32][N:40]([CH2:38][CH3:39])[CH2:41][CH3:42])[cH:28][c:29]34)[CH2:18][CH2:19]2)[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 8021DiethylamineHCID 58770853Methanesulfonic acid 3-{4-[1-(4-isopropoxy-phenylcarbamoyl)-piperidin-4-yl]-quinazolin-6-yl}-prop-2-ynyl ester

Product 1

HCID 587706724-[6-(3-Diethylamino-prop-1-ynyl)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-isopropoxy-phenyl)-amide

Sources & evidence

ORD record
ord-a23c4f66712d45cfbf72905d2d00352e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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