2-(3-(methylamino)propyl)-1H-benzimidazole → 2-[2-{[3-(1H-benzimidazol-2-yl)propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol

HRID 2310159Notes

Reaction equation

HRID 2310159 reaction equation
[CH3:2][O:3][CH2:4][C:5](=[O:6])[O:7][C:8]1([CH2:22][CH2:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][c:29]2[n:30][c:31]3[c:32]([nH:33]2)[cH:34][cH:35][cH:36][cH:37]3)[CH:9]([CH:19]([CH3:20])[CH3:21])[c:10]2[cH:11][cH:12][c:13]([F:18])[cH:14][c:15]2[CH2:16][CH2:17]1.[Ca:1].[F:38][c:39]1[cH:40][c:41]2[c:42]([cH:43][cH:44]1)[CH:45]([CH:46]([CH3:47])[CH3:48])[C:49]([CH2:50][CH2:51][O:52][S:53]([c:54]1[cH:55][cH:56][c:57]([CH3:58])[cH:59][cH:60]1)(=[O:61])=[O:62])([OH:63])[CH2:64][CH2:65]2.[nH:66]1[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][c:74]1[CH2:75][CH2:76][CH2:77][NH:78][CH3:79]>>[OH:7][C:8]1([CH2:22][CH2:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][c:29]2[nH:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)[CH:9]([CH:19]([CH3:20])[CH3:21])[c:10]2[cH:11][cH:12][c:13]([F:18])[cH:14][c:15]2[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 31454002-(3-(methylamino)propyl)-1H-benzimidazoleHCID 52302702-methoxyacetic acid [2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] esterHCID 5460341CalciumHCID 542779592-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl 4-methylbenzenesulfonate

Product 1

HCID 544873282-[2-{[3-(1H-benzimidazol-2-yl)propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol

Sources & evidence

ORD record
ord-630a219ab1114750bac513ae05453988
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…