Water → HCID 86593419, 화합물
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[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[Cl:49].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[NH2:1][c:2]1[c:3]([NH:10][C:11]([CH2:12][CH2:13][NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])=[O:22])[cH:4][n:5][n:6]1[CH2:7][CH2:8][F:9].[OH2:50]>>[NH:1]([c:2]1[c:3]([NH:10][C:11]([CH2:12][CH2:13][NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])=[O:22])[cH:4][n:5][n:6]1[CH2:7][CH2:8][F:9])[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-43245fc582e0417284f4dc5e902935b0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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