p-Toluenesulfonic acid → HCID 178507934, 화합물

HRID 123330노트

반응식

HRID 123330 반응식
[CH:44]1([O:49][C:50]([CH:51]([NH2:52])[CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)=[O:60])[CH2:45][CH2:46][CH2:47][CH2:48]1.[NH2:1][c:2]1[c:3]([C:24]([c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)=[O:32])[cH:4][cH:5][c:6](=[O:23])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][CH2:14][CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])[cH:21][cH:22]1.[OH:33][S:34]([c:35]1[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]1)(=[O:42])=[O:43]>>[NH2:1][c:2]1[c:3]([C:24]([c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)=[O:32])[cH:4][cH:5][c:6](=[O:23])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][CH2:14][CH2:15][NH:52][CH:51]([C:50]([O:49][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)=[O:60])[CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:21][cH:22]1

참가 물질

4

출처 및 근거

ORD 기록
ord-776ebb7b708f4a87ab481d8a5a14eb4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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