2-(2-((4-Chlorobenzyl)carbamoyl)-1-methylhydrazinyl)acetic acid → N-(1-benzothiophen-3-ylmethyl)-2-[[2-[[(4-chlorophenyl)methylcarbamoylamino]-methylamino]acetyl]amino]-N-(1,1-diethoxypropan-2-yl)-N'-tritylbutanediamide
반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[NH:10][N:11]([CH3:12])[CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[NH2:19][CH:20]([C:21](=[O:22])[N:23]([CH:24]([CH:25]([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])[CH3:32])[CH2:33][c:34]1[c:35]2[c:36]([s:37][cH:38]1)[cH:39][cH:40][cH:41][cH:42]2)[CH2:43][C:44](=[O:45])[NH:46][C:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[NH:10][N:11]([CH3:12])[CH2:13][C:14](=[O:16])[NH:19][CH:20]([C:21](=[O:22])[N:23]([CH:24]([CH:25]([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])[CH3:32])[CH2:33][c:34]2[c:35]3[c:36]([s:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42]3)[CH2:43][C:44](=[O:45])[NH:46][C:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:17][cH:18]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-af0740a8b774457b80663183cd3daf32
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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