Water → 5-[2-(4-(4-Phenoxyphenyl)piperidin-1-yl)acetylamino]-2,3,4,5-tetrahydro-1-benzoxepine

HRID 85913

Reaction equation

HRID 85913 reaction equation
[Br:4][CH2:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2.[CH3:1][C:2]#[N:3].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[O:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][c:30]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1.[OH2:46]>>[CH2:5]([C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2)[N:36]1[CH2:35][CH2:34][CH:33]([c:30]2[cH:29][cH:28][c:27]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:32][cH:31]2)[CH2:38][CH2:37]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 110759844-(4-Phenoxyphenyl)piperidineHCID 196942705-(2-Bromoacetylamino)-2,3,4,5-tetrahydro-1-benzoxepine

Product 1

HCID 196942535-[2-(4-(4-Phenoxyphenyl)piperidin-1-yl)acetylamino]-2,3,4,5-tetrahydro-1-benzoxepine

Sources & evidence

ORD record
ord-e4a72e6c31a14718850a0e9d355b16f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…