Toluene → 1-[4-(6,11-Dihydropyrrolo[2,1-c][1,4]benzoxazepin-6-yl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

HRID 285517

Reaction equation

HRID 285517 reaction equation
[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([O:29][CH2:30][CH:31]2[CH2:32][O:33]2)[cH:27][cH:28]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[NH:1]1[CH2:2][CH2:3][CH:4]([CH:7]2[O:8][c:9]3[c:10]([cH:17][cH:18][cH:19][cH:20]3)[CH2:11][n:12]3[c:13]2[cH:14][cH:15][cH:16]3)[CH2:5][CH2:6]1>>[N:1]1([CH2:32][CH:31]([CH2:30][O:29][c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]2)[OH:33])[CH2:2][CH2:3][CH:4]([CH:7]2[O:8][c:9]3[c:10]([cH:17][cH:18][cH:19][cH:20]3)[CH2:11][n:12]3[c:13]2[cH:14][cH:15][cH:16]3)[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 166462,3-Epoxypropyl 4'-methoxyphenyl etherHCID 1368935811-(piperdin-4-yl)-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

Product 1

HCID 139236581-[4-(6,11-Dihydropyrrolo[2,1-c][1,4]benzoxazepin-6-yl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol

Sources & evidence

ORD record
ord-506af22fdbd64f13aa8bd4192fc7edff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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