Hydrochloric Acid → CID 72552866

반응식

[CH3:27][N:28]([S:29](=[O:30])(=[O:31])[c:32]1[c:33]([N+:38](=[O:39])[O-:40])[cH:34][cH:35][cH:36][cH:37]1)[CH:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][n:7]1)[nH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[OH:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[cH:10]2.[ClH:26]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][n:7]1)[nH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[N:44]1[CH2:43][CH2:42][CH:41]([N:28]([CH3:27])[S:29](=[O:30])(=[O:31])[c:32]3[c:33]([N+:38](=[O:39])[O-:40])[cH:34][cH:35][cH:36][cH:37]3)[CH2:46][CH2:45]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[cH:10]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 43606933N-methyl-2-nitro-N-(piperidin-4-yl)benzene-1-sulfonamide

HCID 725528572-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid

생성물 1

HCID 178482262CID 72552866

출처 및 근거

ORD 기록: ord-2b189f9d43bf4dc69ae1c41aed677ba4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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