Hydrochloric Acid → 4-(4-Bromobenzenesulfonyl)-1-{[4-ethoxycarbonylamino-1-(2-methyl-4-pyridyl)-4-piperidinyl]methyl}-2-piperazinone

HRID 1221290

反応式

HRID 1221290 の反応式
[Br:36][c:37]1[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[Cl:46])[cH:41][cH:42]1.[CH2:9]([CH3:10])[O:11][C:12](=[O:13])[NH:14][C:15]1([CH2:28][N:29]2[C:30](=[O:35])[CH2:31][NH:32][CH2:33][CH2:34]2)[CH2:16][CH2:17][N:18]([c:21]2[cH:22][c:23]([CH3:27])[n:24][cH:25][cH:26]2)[CH2:19][CH2:20]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:53][CH2:54][Cl:55].[ClH:8].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52]>>[CH2:9]([CH3:10])[O:11][C:12](=[O:13])[NH:14][C:15]1([CH2:28][N:29]2[C:30](=[O:35])[CH2:31][N:32]([S:43]([c:40]3[cH:39][cH:38][c:37]([Br:36])[cH:42][cH:41]3)(=[O:44])=[O:45])[CH2:33][CH2:34]2)[CH2:16][CH2:17][N:18]([c:21]2[cH:22][c:23]([CH3:27])[n:24][cH:25][cH:26]2)[CH2:19][CH2:20]1

参加物

8

反応物 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2 回HCID 6344DichloromethaneHCID 7396p-Bromobenzenesulfonyl chlorideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 21948313ethyl N-[1-(2-methyl-4-pyridinyl)-4-[(2-oxopiperazin-1-yl)methyl]piperidin-4-yl]carbamate

生成物 1

HCID 102106674-(4-Bromobenzenesulfonyl)-1-{[4-ethoxycarbonylamino-1-(2-methyl-4-pyridyl)-4-piperidinyl]methyl}-2-piperazinone

出典と根拠

ORDレコード
ord-ff8ba5557fb345149bca955eaa022028
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

関連ノート

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