N,N'-Dimethyl-1,3-propanediamine → N-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)phenyl)-5-[N-(3-methylaminopropyl)-N-methylamino]-2-nitrobenzamide

반응식

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

참가 물질

반응물 2

HCID 66978N,N'-Dimethyl-1,3-propanediamine

HCID 22238142N-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)phenyl]-5-chloro-2-nitrobenzamide

생성물 1

HCID 22238184N-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)phenyl)-5-[N-(3-methylaminopropyl)-N-methylamino]-2-nitrobenzamide

출처 및 근거

ORD 기록: ord-5dff63d6505340ae81bc1e0d8913fe18
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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