Toluene → HCID 67041118, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 50733624-Chloro-2,6-dimethylaniline

HCID 86615557HCID 86615557, 화합물

생성물 1

HCID 67041118HCID 67041118, 화합물

출처 및 근거

ORD 기록: ord-ea2b672e57da4041ac7d83ae089c390c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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