Hydrochloric Acid → HCID 178466445, 화합물

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 27339954-(Piperazin-1-yl)benzonitrile

HCID 178466472HCID 178466472, 화합물

생성물 1

HCID 178466445HCID 178466445, 화합물

출처 및 근거

ORD 기록: ord-6e1c608a0be647398ab8666b9a345380
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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