Hydrochloric Acid → HCID 178493416, 화합물

HRID 1222141노트

반응식

HRID 1222141 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[n:13][c:14](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[s:15][c:16]1[CH2:17][O:18][c:19]1[cH:20][c:21]([O:27][CH3:28])[c:22]([C:23]#[N:24])[cH:25][cH:26]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:54][OH:55].[ClH:39].[NH2:40][OH:41].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[n:13][c:14](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[s:15][c:16]1[CH2:17][O:18][c:19]1[cH:20][c:21]([O:27][CH3:28])[c:22]([C:23](=[NH:24])[NH:40][OH:41])[cH:25][cH:26]1

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 595946624-[4-(3-Benzyloxy-propyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-2-methoxy-benzonitrile

생성물 1

HCID 178493416HCID 178493416, 화합물

출처 및 근거

ORD 기록
ord-13c7b7880d22499f883a3208bbe8d438
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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