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Bicarbonate Ion → 1-(3-(1-(4-Methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)propylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine

HRID 1547372
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HRID 1547372 반응식
[C:62](=[O:63])([OH:64])[O-:65].[CH2:72]([Cl:73])[Cl:74].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:37])[c:6]([S:10](=[O:11])(=[O:12])[N:13]2[CH:14]([CH2:19][CH2:20][CH2:21][S:22](=[O:23])([O:25][c:24]3[c:26]([F:27])[c:28]([F:29])[c:30]([F:31])[c:32]([F:33])[c:34]3[F:35])=[O:36])[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:7]([CH3:9])[cH:8]1.[CH3:38][N:39]1[CH2:40][CH2:41][CH:42]([N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:43][CH2:44]1.[N:51]12[CH2:52][CH2:53][CH2:54][N:55]=[C:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]2.[Na+:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:37])[c:6]([S:10](=[O:11])(=[O:12])[N:13]2[CH:14]([CH2:19][CH2:20][CH2:21][S:22](=[O:23])(=[O:25])[N:48]3[CH2:47][CH2:46][N:45]([CH:42]4[CH2:41][CH2:40][N:39]([CH3:38])[CH2:44][CH2:43]4)[CH2:50][CH2:49]3)[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:7]([CH3:9])[cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 5663241-(1-Methyl-4-piperidinyl)piperazineHCID 59367793Perfluorophenyl 3-(1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)propane-1-sulfonate

생성물 1

HCID 593677251-(3-(1-(4-Methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)propylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine

출처 및 근거

ORD 기록
ord-281f31cf4f8f4e888bea5cc47b806de7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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