Benzoic acid, 2-(acetylamino)-4-nitro- → HCID 178474344, 화합물

반응식

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

참가 물질

반응물 2

HCID 70373Benzoic acid, 2-(acetylamino)-4-nitro-

HCID 40982110,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

생성물 1

HCID 178474344HCID 178474344, 화합물

출처 및 근거

ORD 기록: ord-24ccc8719e2a4306b6d1f4144f354220
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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