Dichloromethane → Methanesulfonic acid 3-{4-[1-(4-isopropoxy-phenylcarbamoyl)-piperidin-4-yl]-quinazolin-6-yl}-prop-2-ynyl ester

HRID 288779Notes

Reaction equation

HRID 288779 reaction equation
[CH3:43][S:44]([Cl:45])(=[O:46])=[O:47].[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][OH:33])[cH:28][c:29]34)[CH2:18][CH2:19]2)[cH:9][cH:10]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:48][CH2:49][Cl:50]>>[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:44]([CH3:43])(=[O:46])=[O:47])[cH:28][c:29]34)[CH2:18][CH2:19]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 587706514-[6-(3-Hydroxy-prop-1-ynyl)-quinazolin-4-yl]-piperidine-1-carboxylic acid (4-isopropoxy-phenyl)-amide

Product 1

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

Sources & evidence

ORD record
ord-4d7479899c66480ea88a3f6fc8f9127a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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