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Hydrochloric Acid → 5-fluoro-1-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-[(methoxycarbonyl-methyl-amino)-methyl]-1H-indole-2-carboxylic acid

HRID 113653
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HRID 113653 반응식
[CH2:1]([O:2][C:3]([c:4]1[n:5]([CH2:6][c:7]2[c:8]3[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]3[s:15][cH:16]2)[c:17]2[c:18]([c:19]1[CH2:20][NH:21][CH3:22])[cH:23][c:24]([F:25])[cH:26][cH:27]2)=[O:28])[CH3:29].[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[c:36]1[n:37]([CH2:53][c:54]2[c:55]3[c:56]([s:57][cH:58]2)[cH:59][cH:60][c:61]([F:63])[cH:62]3)[c:38]2[cH:39][cH:40][c:41]([F:52])[cH:42][c:43]2[c:44]1[CH2:45][N:46]([CH3:47])[C:48](=[O:49])[O:50][CH3:51].[ClH:30]>>[O:33]=[C:34]([OH:35])[c:36]1[n:37]([CH2:53][c:54]2[c:55]3[c:56]([s:57][cH:58]2)[cH:59][cH:60][c:61]([F:63])[cH:62]3)[c:38]2[cH:39][cH:40][c:41]([F:52])[cH:42][c:43]2[c:44]1[CH2:45][N:46]([CH3:47])[C:48](=[O:49])[O:50][CH3:51]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 685775845-fluoro-1-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-methylaminomethyl-1H-indole-2-carboxylic acid ethyl esterHCID 685803965-fluoro-1-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-[(methoxycarbonyl-methyl-amino)-methyl]-1H-indole-2-carboxylic acid ethyl ester

생성물 1

HCID 235821115-fluoro-1-(5-fluoro-benzo[b]thiophen-3-ylmethyl)-3-[(methoxycarbonyl-methyl-amino)-methyl]-1H-indole-2-carboxylic acid

출처 및 근거

ORD 기록
ord-fbd3a4916b3f4e15920a621b8f8e6e4f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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