Toluene → HCID 3055552, 화합물

반응식

[C:20]([CH3:21])([CH3:22])([CH3:23])[NH2:24].[CH3:1][c:2]1[s:3][c:4]([CH:7]=[CH:8][c:9]2[c:10]([O:15][CH2:16][CH:17]3[CH2:18][O:19]3)[cH:11][cH:12][cH:13][cH:14]2)[n:5][n:6]1.[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][c:2]1[s:3][c:4]([CH:7]=[CH:8][c:9]2[c:10]([O:15][CH2:16][CH:17]([CH2:18][NH:24][C:20]([CH3:21])([CH3:22])[CH3:23])[OH:19])[cH:11][cH:12][cH:13][cH:14]2)[n:5][n:6]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 6385Tert-Butylamine

HCID 53934759HCID 53934759, 화합물

생성물 1

HCID 3055552HCID 3055552, 화합물

출처 및 근거

ORD 기록: ord-678426d9538743fea5121a101c3c4362
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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