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Hydrochloric Acid → HCID 69517337, 화합물

HRID 1230560
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HRID 1230560 반응식
[CH2:42]1[CH2:43][CH2:44][C:45]2=[N:50][CH2:49][CH2:48][CH2:47][N:46]2[CH2:51][CH2:52]1.[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[Cl:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][cH:10][c:11]([N:14]=[C:15]=[O:16])[c:12]1[CH3:13].[Cl:53][CH2:54][Cl:55].[ClH:26].[N-:1]=[C:2]=[O:3].[NH2:27][CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH2:33][NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41]>>[Cl:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][cH:10][c:11]([N:14]2[C:15](=[O:16])[NH:27][CH:28]([CH2:33][NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:29]2=[O:30])[c:12]1[CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 81531DiisopropylethylamineHCID 105034IsocyanateHCID 3442239Methyl 2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateHCID 167318492-Chloro-4-isocyanato-3-methylbenzonitrile

생성물 1

HCID 69517337HCID 69517337, 화합물

출처 및 근거

ORD 기록
ord-dbeb3d67a97d46efab67efe899a2a6c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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