Toluene → HCID 178489765, 화합물

HRID 2334759노트

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HRID 2334759 반응식
[CH3:22][O:23][c:24]1[cH:25][c:26]([CH2:32][CH2:33][c:34]2[cH:35][c:36]([NH2:39])[nH:37][n:38]2)[cH:27][c:28]([O:30][CH3:31])[cH:29]1.[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:11]2[cH:12][cH:13][c:14]([C:15]([O:17][CH2:16][CH3:18])=[O:19])[cH:20][cH:21]2)[CH2:8][CH2:9][CH2:10]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:11]2[cH:12][cH:13][c:14]([C:15](=[O:17])[NH:39][c:36]3[cH:35][c:34]([CH2:33][CH2:32][c:26]4[cH:25][c:24]([O:23][CH3:22])[cH:29][c:28]([O:30][CH3:31])[cH:27]4)[n:38][nH:37]3)[cH:20][cH:21]2)[CH2:8][CH2:9][CH2:10]1

참가 물질

5

출처 및 근거

ORD 기록
ord-239899a72c3a4ab39db2e6b843d956f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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