Acetic Acid → 4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-N-(4-dipropylaminomethyl-phenyl)-benzamide

HRID 213411

반응식

HRID 213411 반응식
[C:33]([BH3-:34])#[N:35].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][NH:24][CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][c:42]1[c:43]([CH:49]=[O:50])[n:44][cH:45][c:46]([CH3:48])[cH:47]1.[CH3:51][OH:52].[Na+:36]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]([CH2:25][c:26]3[n:27]([CH3:31])[cH:28][cH:29][n:30]3)[CH2:49][c:43]3[c:42]([CH3:41])[cH:47][c:46]([CH3:48])[cH:45][n:44]3)[cH:21][cH:22]2)=[O:32])[cH:13][cH:14]1

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 187316833,5-Dimethylpyridine-2-carbaldehydeHCID 66941901N-(4-dipropylaminomethyl-phenyl)-4-{[(1-methylimidazol-2-ylmethyl)-amino]methyl}benzamide

생성물 1

HCID 117066654-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-N-(4-dipropylaminomethyl-phenyl)-benzamide

출처 및 근거

ORD 기록
ord-bff174333e1745d1b206757e693e6e88
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…