Toluene → HCID 54708356, 화합물

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[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:50][CH2:51][Cl:52].[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[N:6]([c:11]2[c:12]([CH2:13][NH:14][C:15](=[O:16])[c:17]3[n:18][c:19]4[n:24]([c:25](=[O:35])[c:26]3[O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:23][CH2:22][O:21][C:20]4([CH3:36])[CH3:37])[cH:38][cH:39][c:40]([F:42])[cH:41]2)[C:7](=[O:10])[CH2:8][CH2:9]1>>[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[N:6]([c:11]2[c:12]([CH2:13][NH:14][C:15](=[O:16])[c:17]3[n:18][c:19]4[n:24]([c:25](=[O:35])[c:26]3[OH:27])[CH2:23][CH2:22][O:21][C:20]4([CH3:36])[CH3:37])[cH:38][cH:39][c:40]([F:42])[cH:41]2)[C:7](=[O:10])[CH2:8][CH2:9]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 21070040HCID 21070040, 화합물

생성물 1

HCID 54708356HCID 54708356, 화합물

출처 및 근거

ORD 기록: ord-7bbc2ed5f2b148c69c2174ef1460f02d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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