Toluene → HCID 178499929, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 758153-Phenylpropyl isothiocyanate

HCID 178499915HCID 178499915, 화합물

생성물 1

HCID 178499929HCID 178499929, 화합물

출처 및 근거

ORD 기록: ord-4b3b0db54f8f43d1b7cc8caa97ad6cfe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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