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Sodium Ion → 6-[2-(4-{2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-benzimidazole-1-sulfonyl}-phenoxy)acetylamino]hexanoic acid 2-(3-nitrobenzenesulfonyl)ethyl ester

HRID 1119387
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인쇄 미리보기

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HRID 1119387 반응식
[CH3:38][c:39]1[c:40]([CH2:51][S:52](=[O:53])[c:54]2[n:55][c:56]3[c:57]([nH:58]2)[cH:59][cH:60][cH:61][cH:62]3)[n:41][cH:42][cH:43][c:44]1[O:45][CH2:46][C:47]([F:48])([F:49])[F:50].[Cl:66][CH2:67][Cl:68].[H-:64].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([S:10](=[O:11])(=[O:12])[CH2:13][CH2:14][O:15][C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:23]([CH2:24][O:25][c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[Cl:35])[cH:30][cH:31]2)=[O:36])=[O:37])[cH:7][cH:8][cH:9]1.[Na+:63].[OH2:65]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([S:10](=[O:11])(=[O:12])[CH2:13][CH2:14][O:15][C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][NH:22][C:23]([CH2:24][O:25][c:26]2[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[n:55]3[c:54]([S:52]([CH2:51][c:40]4[c:39]([CH3:38])[c:44]([O:45][CH2:46][C:47]([F:48])([F:49])[F:50])[cH:43][cH:42][n:41]4)=[O:53])[n:58][c:57]4[c:56]3[cH:62][cH:61][cH:60][cH:59]4)[cH:30][cH:31]2)=[O:36])=[O:37])[cH:7][cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 3883LansoprazoleHCID 6344DichloromethaneHCID 166653HydrideHCID 865925656-[2-(4-Chlorosulfonyl-phenoxy)-acetylamino]-n-hexanoic acid 2-(3-nitro-benzenesulfonyl)ethyl ester

생성물 1

HCID 20786375
6-[2-(4-{2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-benzimidazole-1-sulfonyl}-phenoxy)acetylamino]hexanoic acid 2-(3-nitrobenzenesulfonyl)ethyl ester

출처 및 근거

ORD 기록
ord-0d1ba3dcb5524953b8d73b21b7504ba1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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