Hydrochloric Acid → [4-[2-(4-Benzyl-3-hydroxypiperidin-1-yl)ethylsulfonyl]phenyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

HRID 1564387

反応式

HRID 1564387 の反応式
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([OH:26])[CH2:10][N:11]([CH2:14][CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH2:51]([Cl:52])[Cl:53].[CH3:54][N:55]([c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1)[CH3:62].[ClH:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([OH:26])[CH2:10][N:11]([CH2:14][CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][C:40]([c:39]3[cH:38][cH:37][c:36]([CH2:35][NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[cH:44][cH:43]3)=[O:41])[cH:23][cH:24]2)[CH2:12][CH2:13]1

参加物

7

反応物 6

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 8536054-(((tert-Butoxycarbonyl)amino)methyl)benzoic acidHCID 98209944-Benzyl-1-[2-(4-hydroxyphenyl)sulfonylethyl]piperidin-3-ol

生成物 1

HCID 145841959[4-[2-(4-Benzyl-3-hydroxypiperidin-1-yl)ethylsulfonyl]phenyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

出典と根拠

ORDレコード
ord-4a7e4126e3c146be8b7b38d5e355b28d
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

関連ノート

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