Toluene → HCID 19979380, 화합물

반응식

[C:24]([CH3:25])([CH3:26])([CH3:27])[NH2:28].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([O:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[cH:7][c:8]([CH:13]([CH3:14])[CH3:15])[c:9]1[N:10]=[C:11]=[S:12]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([O:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[cH:7][c:8]([CH:13]([CH3:14])[CH3:15])[c:9]1[NH:10][C:11](=[S:12])[NH:28][C:24]([CH3:25])([CH3:26])[CH3:27]

참가 물질

반응물 3

HCID 1140Toluene

HCID 6385Tert-Butylamine

HCID 19979372HCID 19979372, 화합물

생성물 1

HCID 19979380HCID 19979380, 화합물

출처 및 근거

ORD 기록: ord-9848ae89cc2c4a0eb0a9b6cacf3b53f6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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