Hydrochloric Acid → Ethyl 4-([4-(2-butynyloxy)phenyl]sulfonyl)-1-(3-pyridinylmethyl)-4-piperidine carboxylate

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 11335441Ethyl{[4-(2-butynyloxy)phenyl]sulfonyl}acetate

HCID 698869832-chloro-N-(2-chloroethyl)-N-(pyridin-3-ylmethyl)ethanamine

생성물 1

HCID 23513842Ethyl 4-([4-(2-butynyloxy)phenyl]sulfonyl)-1-(3-pyridinylmethyl)-4-piperidine carboxylate

출처 및 근거

ORD 기록: ord-58c7c5386acf4074b2b93fc6ccd65736
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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