2-Ethylaniline → HCID 59352152, 화합물

반응식

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

참가 물질

반응물 3

HCID 113572-Ethylaniline

HCID 76688Cyclohexanemethylamine

HCID 593523082-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]benzoic acid

생성물 1

HCID 59352152HCID 59352152, 화합물

출처 및 근거

ORD 기록: ord-e825c9656b9043e4bc3ecdee7ba9d129
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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