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Hydrochloric Acid → HCID 178456628, 화합물

HRID 2162492
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HRID 2162492 반응식
[CH3:1][CH:2]([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:11][c:12]2[C:13](=[O:14])[OH:15].[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[ClH:22].[ClH:66].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:65].[OH2:67].[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1.[nH:23]1[n:24][n:25][n:26][c:27]1-[c:28]1[cH:29][c:30]2[c:35]([cH:36][cH:37]1)[O:34][C:33]1([CH2:32][C:31]2=[O:43])[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1>>[CH3:1][CH:2]([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[cH:11][c:12]2[C:13](=[O:14])[N:40]1[CH2:39][CH2:38][C:33]2([CH2:32][C:31](=[O:43])[c:30]3[cH:29][c:28](-[c:27]4[n:23][n:24][n:25][nH:26]4)[cH:37][cH:36][c:35]3[O:34]2)[CH2:42][CH2:41]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 962Water2회HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 25350536-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
HCID 178515376
HCID 178515376, 화합물

생성물 1

HCID 178456628HCID 178456628, 화합물

출처 및 근거

ORD 기록
ord-15d0e755ec0c425592da688aaee02004
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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