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Hydrochloric Acid → HCID 178422264, 화합물

HRID 2156458
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HRID 2156458 반응식
[CH3:2][c:3]1[cH:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[N:7]=[C:6]2[NH2:17].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:1].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH2:26][CH2:27][CH:28]2[NH:29][CH2:30][CH2:31][NH:32][CH2:33]2)[cH:24][cH:25]1)([F:34])[F:35].[OH2:55]>>[CH3:2][c:3]1[cH:4][c:5]2[c:11]([s:12]1)[NH:10][c:9]1[c:8]([cH:16][cH:15][cH:14][cH:13]1)[N:7]=[C:6]2[N:17]1[CH2:31][CH2:30][NH:29][CH:28]([CH2:27][CH2:26][c:23]2[cH:22][cH:21][c:20]([C:19]([F:18])([F:34])[F:35])[cH:25][cH:24]2)[CH2:33]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 210936512-(4-(Trifluoromethyl)phenethyl)piperazine
HCID 135446208
Olanzamine

생성물 1

HCID 178422264HCID 178422264, 화합물

출처 및 근거

ORD 기록
ord-56e9d018fbac4a0794d14b655c5a46cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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