Hydrochloric Acid → HCID 77161064, 화합물

HRID 162702

반응식

HRID 162702 반응식
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[ClH:38].[NH2:1][c:2]1[n:3][c:4]([S:24][CH2:25][c:26]2[n:27][c:28](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[o:29][cH:30]2)[c:5]([C:22]#[N:23])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH:18]([CH2:19][OH:20])[OH:21])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[NH:39]([CH3:40])[CH2:41][C:42](=[O:43])[O:44][CH3:45]>>[N:1]([c:2]1[n:3][c:4]([S:24][CH2:25][c:26]2[n:27][c:28](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[o:29][cH:30]2)[c:5]([C:22]#[N:23])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH:18]([CH2:19][OH:20])[OH:21])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9])([CH2:41][C:42](=[O:43])[O:44][CH3:45])[CH3:46]

참가 물질

6

출처 및 근거

ORD 기록
ord-93192de86ff343449692ae8bc729a0aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…