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Hydrochloric Acid → HCID 178504712, 화합물

HRID 112052
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HRID 112052 반응식
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:51][S:52](=[O:53])(=[O:54])[c:55]1[c:56]([O:57][CH:58]2[CH2:59][CH2:60][NH:61][CH2:62][CH2:63]2)[cH:64][cH:65][cH:66][cH:67]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:49].[ClH:50].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:61]3[CH2:60][CH2:59][CH:58]([O:57][c:56]4[c:55]([S:52]([CH3:51])(=[O:53])=[O:54])[cH:67][cH:66][cH:65][cH:64]4)[CH2:63][CH2:62]3)[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 578744884-(2-(Methylsulfonyl)phenoxy)piperidine
HCID 178525878
HCID 178525878, 화합물

생성물 1

HCID 178504712HCID 178504712, 화합물

출처 및 근거

ORD 기록
ord-934413b166a44494b06c56c0864b87f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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