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Hydrochloric Acid → HCID 59559647, 화합물

HRID 1149213
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HRID 1149213 반응식
[Br:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1.[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([NH:50][CH2:51][C:52]([N:53]1[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1)=[O:59])=[O:60].[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:43].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Br:20][c:21]1[c:22]([C:23](=[O:25])[N:56]2[CH2:55][CH2:54][N:53]([C:52]([CH2:51][NH:50][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:60])=[O:59])[CH2:58][CH2:57]2)[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 899062-Bromo-5-methoxybenzoic acid
HCID 17750349
tert-butyl N-(2-oxo-2-(piperazin-1-yl)ethyl)carbamate

생성물 1

HCID 59559647HCID 59559647, 화합물

출처 및 근거

ORD 기록
ord-97a440e301d84bb298660eff0750e7cd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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