Hydrochloric Acid → 2-(4-(4-(3-(Aminomethyl)-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenyl)-2-(4-cyanophenylamino)acetic acid

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8857Ethyl Acetate

HCID 68818316HCID 68818316, 화합물

생성물 1

HCID 688177992-(4-(4-(3-(Aminomethyl)-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenyl)-2-(4-cyanophenylamino)acetic acid

출처 및 근거

ORD 기록: ord-f3a7be65880c4c149bf386eb783a3fc7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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