Toluene → HCID 13733074, 화합물

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 13733128HCID 13733128, 화합물

HCID 13733131HCID 13733131, 화합물

생성물 1

HCID 13733074HCID 13733074, 화합물

출처 및 근거

ORD 기록: ord-d0d00ba42d7d4b5ca3a54584de12188d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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