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Hydrochloric Acid → HCID 178500609, 화합물

HRID 2346060
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HRID 2346060 반응식
[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][O:2][C:3]([c:4]1[c:5](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:6][c:7]([CH2:10][NH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]2[CH3:18])[cH:8][cH:9]1)=[O:25].[CH3:30][O:31][C:32]([CH:33]([NH2:34])[CH2:35][CH2:36][S:37][CH3:38])=[O:39].[CH3:52][OH:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:28].[ClH:29].[Li+:26].[OH-:27].[OH:40][n:41]1[c:42](=[O:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[O:2]=[C:3]([c:4]1[c:5](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:6][c:7]([CH2:10][NH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]2[CH3:18])[cH:8][cH:9]1)[NH:34][CH:33]([C:32]([O:31][CH3:30])=[O:39])[CH2:35][CH2:36][S:37][CH3:38]
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 313Hydrochloric Acid2회HCID 887MethanolHCID 961HydroxideHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 730263-hydroxy-1,2,3-benzotriazin-4(3H)-one
HCID 351663Methionine methyl ester
HCID 54568565HCID 54568565, 화합물

생성물 1

HCID 178500609HCID 178500609, 화합물

출처 및 근거

ORD 기록
ord-78bae680905a403383ad44ab4c755dab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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