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Sodium Ion → 1-Benzoyl-3-[2-[4-(benzothiazole-2-carbonyl)-piperidin-1-yl]-ethyl]-3-(3,4-dimethoxy-phenyl)-pyrrolidine

HRID 2133376
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HRID 2133376 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1.[Cl:53][CH2:54][Cl:55].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:56].[s:30]1[c:31]([C:39](=[O:40])[CH:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[n:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][cH:38]2>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][C:11]([CH2:14][CH2:15][N:44]2[CH2:43][CH2:42][CH:41]([C:39]([c:31]3[s:30][c:34]4[c:33]([n:32]3)[cH:38][cH:37][cH:36][cH:35]4)=[O:40])[CH2:46][CH2:45]2)([c:20]2[cH:21][c:22]([O:28][CH3:29])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[CH2:12][CH2:13]1
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참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 152370094-(Benzthiazole-2-carbonyl)piperidineHCID 155428841-Benzoyl-3-(3,4-dimethoxy-phenyl)-3-(2-methanesulfonyl-ethyl)-pyrrolidine

생성물 1

HCID 102104321-Benzoyl-3-[2-[4-(benzothiazole-2-carbonyl)-piperidin-1-yl]-ethyl]-3-(3,4-dimethoxy-phenyl)-pyrrolidine

출처 및 근거

ORD 기록
ord-532c97e29ea54f62b9d9b741bf9c0c0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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