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Lansoprazole → 2-(2-Carbamoylmethoxy-4-{2-[3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-benzimidazole-1-sulfonyl}-phenoxy)acetamide

HRID 1115203
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HRID 1115203 반응식
[C:26]([NH2:27])(=[O:28])[CH2:29][O:30][c:31]1[cH:32][c:33]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:34][cH:35][c:36]1[O:37][CH2:38][C:39]([NH2:40])=[O:41].[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH3:46][C:47]#[N:48]>>[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([n:21]2[S:42]([c:33]2[cH:32][c:31]([O:30][CH2:29][C:26]([NH2:27])=[O:28])[c:36]([O:37][CH2:38][C:39]([NH2:40])=[O:41])[cH:35][cH:34]2)(=[O:43])=[O:44])[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]
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참가 물질

4

반응물 3

HCID 3883LansoprazoleHCID 6342AcetonitrileHCID 185412373,4-Bis(carbamoylmethoxy)benzenesulfonyl chloride

생성물 1

HCID 101534602-(2-Carbamoylmethoxy-4-{2-[3-methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-benzimidazole-1-sulfonyl}-phenoxy)acetamide

출처 및 근거

ORD 기록
ord-3980738451f347069e7cdf5d13d9b0d4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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