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Hydrochloric Acid → HCID 178452142, 화합물

HRID 301113
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HRID 301113 반응식
[C:1]([O:2][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:21][O:22][c:23]1[cH:24][c:25]([C:29]#[N:30])[cH:26][cH:27][cH:28]1)([CH3:3])([CH3:4])[CH3:5].[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][CH:41]([O:44][c:45]2[cH:46][cH:47][c:48]([C:49]([OH:50])=[O:51])[cH:52][cH:53]2)[CH2:42][CH2:43]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:62][N:63]([CH3:64])[CH2:65][CH2:66][CH2:67][N:68]=[C:69]=[N:70][CH2:71][CH3:72].[ClH:61].[ClH:83].[O:84]1[CH2:85][CH2:86][O:87][CH2:88][CH2:89]1.[O:90]1[CH2:91][CH2:92][O:93][CH2:94][CH2:95]1.[OH2:96].[OH:73][n:74]1[c:75]2[cH:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[C:6](=[O:7])([NH:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:21][O:22][c:23]1[cH:24][c:25]([C:29]#[N:30])[cH:26][cH:27][cH:28]1)[c:48]1[cH:47][cH:46][c:45]([O:44][CH:41]2[CH2:40][CH2:39][N:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[CH2:43][CH2:42]2)[cH:53][cH:52]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-Dioxane2회HCID 757711-HydroxybenzotriazoleHCID 27946494-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)benzoic acid
HCID 178453725HCID 178453725, 화합물

생성물 1

HCID 178452142HCID 178452142, 화합물

출처 및 근거

ORD 기록
ord-3978852786654d7e9880c67e290ef907
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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