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Hydrochloric Acid → N-[2-(benzylthio)-3,3-dimethoxypropyl]-5-(2-methoxyethoxy)-7-nitro-1H-indole-2-carboxamide

HRID 314067
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HRID 314067 반응식
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[S:28][CH:29]([CH2:30][NH2:31])[CH:32]([O:33][CH3:34])[O:35][CH3:36].[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:18](=[O:19])[OH:20])[nH:11][c:12]2[c:13]([N+:15](=[O:16])[O-:17])[cH:14]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:47].[n:37]1([OH:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:18](=[O:20])[NH:31][CH2:30][CH:29]([S:28][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH:32]([O:33][CH3:34])[O:35][CH3:36])[nH:11][c:12]2[c:13]([N+:15](=[O:16])[O-:17])[cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574759902-(Benzylthio)-3,3-dimethoxypropan-1-amineHCID 574762195-(2-methoxyethoxy)-7-nitro-1H-indole-2-carboxylic acid

생성물 1

HCID 59136022
N-[2-(benzylthio)-3,3-dimethoxypropyl]-5-(2-methoxyethoxy)-7-nitro-1H-indole-2-carboxamide

출처 및 근거

ORD 기록
ord-4edcb031f23f480da1c49692f2696800
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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