Toluene → 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 24813Phosphorus oxychloride

HCID 67073109N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide

생성물 1

HCID 685293044-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile

출처 및 근거

ORD 기록: ord-2735f73be03448d49e5e96223b98c02f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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