Toluene → HCID 59762314, 화합물

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 80561,4-Dibromobutane

HCID 59762386HCID 59762386, 화합물

생성물 1

HCID 59762314HCID 59762314, 화합물

출처 및 근거

ORD 기록: ord-2df12860bd12437a836c9a00d1e98b94
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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