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Trifluoroacetic acid → {3-[2-(3-Methoxy-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid

HRID 1144173
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반응식

HRID 1144173 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH3:39])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][c:33]([O:37][CH3:38])[cH:34][cH:35][cH:36]3)[S:21](=[O:28])(=[O:29])[c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12)=[O:40].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH3:39])[c:10]([C:18]2=[N:19][N:20]([CH2:30][c:31]3[cH:32][c:33]([O:37][CH3:38])[cH:34][cH:35][cH:36]3)[S:21](=[O:28])(=[O:29])[c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[c:11]2[cH:12][c:13]([F:17])[cH:14][cH:15][c:16]12)[OH:40]
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반응물 2

HCID 6422Trifluoroacetic acidHCID 67316550{3-[2-(3-Methoxy-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 59753848{3-[2-(3-Methoxy-benzyl)-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2,3]thiadiazin-4-yl]-5-fluoro-2-methyl-indol-1-yl}-acetic acid

출처 및 근거

ORD 기록
ord-0a6251a1fc9d401b87a60bc0c9217327
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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