Toluene → 3-(3-Benzyl-5-dimethylaminomethylene-4-oxothiazolidin-2-ylideneamino)-4-ethylamino-benzonitrile

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 78373Dimethylformamide dimethyl acetal

HCID 219373763-(3-Benzyl-4-oxothiazolidin-2-ylideneamino)-4-ethylaminobenzonitrile

생성물 1

HCID 730410413-(3-Benzyl-5-dimethylaminomethylene-4-oxothiazolidin-2-ylideneamino)-4-ethylamino-benzonitrile

출처 및 근거

ORD 기록: ord-3f3e40c070db4c38abab83eb2ee9f355
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…