Hydrochloric Acid → HCID 178499756, 화합물

HRID 117203

반응식

HRID 117203 반응식
[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:21])[c:16]([CH3:20])[n:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:22][C:23](=[O:24])[CH:25]1[NH:26][CH2:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][c:33]2[CH2:34]1)[O:35][CH2:36][CH:37]([c:39]1[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]2[cH:48][c:49]([Cl:54])[c:50]([Cl:53])[cH:51][cH:52]2)[cH:43][cH:44]1)[O:38]3)=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][c:61]([CH:63]=[O:64])[n:62]1.[ClH:1].[ClH:2]>>[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:21])[c:16]([CH3:20])[n:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:22][C:23](=[O:24])[CH:25]1[N:26]([CH2:63][c:61]2[cH:60][cH:59][cH:58][c:57]([CH3:56])[n:62]2)[CH2:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][c:33]2[CH2:34]1)[O:35][CH2:36][CH:37]([c:39]1[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]2[cH:48][c:49]([Cl:54])[c:50]([Cl:53])[cH:51][cH:52]2)[cH:43][cH:44]1)[O:38]3)=[O:55]

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid2회HCID 707376-Methyl-2-pyridinecarboxaldehydeHCID 76761787Methyl 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoate

생성물 1

HCID 178499756HCID 178499756, 화합물

출처 및 근거

ORD 기록
ord-68cf147174394d5fa2441adf6b42145c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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