Water → HCID 178515708, compound

HRID 2156476Notes

Reaction equation

HRID 2156476 reaction equation
[Br:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]1[cH:44][c:45]([S:49](=[O:50])(=[O:51])[CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56]2)[cH:46][cH:47][cH:48]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH:10]([OH:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:30])[nH:17][c:18]2[c:19]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21]1.[CH3:57][C:58]#[N:59].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH:10]([OH:11])[c:12]1[c:13]2[cH:14][cH:15][c:16](=[O:30])[nH:17][c:18]2[c:19]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21]1)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][CH2:41][CH2:42][c:43]1[cH:44][c:45]([S:49](=[O:50])(=[O:51])[CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56]2)[cH:46][cH:47][cH:48]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 691198271-{4-[(6-Bromohexyl)oxy]butyl}-3-(cyclopentylsulfonyl)benzeneHCID 1188792195-[2-(benzylamino)-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one

Product 1

HCID 178515708HCID 178515708, compound

Sources & evidence

ORD record
ord-7f50c1f756bf4c9ba02e66819d0b5104
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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