Isopropanol → 2-(5-{3-[4-(4-Chloro-phenyl)-4-methoxy-piperidin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

HRID 685915Notes

Reaction equation

HRID 685915 reaction equation
[Br:25][CH2:26][CH2:27][CH:28]=[C:29]1[c:30]2[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]2)[O:32][CH2:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][n:39]2.[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:14][CH3:15])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[I:24].[n:16]1[c:17]([CH3:18])[cH:19][cH:20][cH:21][c:22]1[CH3:23]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:14][CH3:15])[CH2:9][CH2:10][N:11]([CH2:26][CH2:27][CH:28]=[C:29]3[c:30]4[c:31]([cH:40][cH:41][c:42]([C:44]([CH3:45])([CH3:46])[OH:47])[cH:43]4)[O:32][CH2:33][c:34]4[c:35]3[cH:36][cH:37][cH:38][n:39]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 79372,6-LutidineHCID 24841Hydrogen iodideHCID 224946584-(4-Chlorophenyl)-4-methoxypiperidineHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

Product 1

HCID 667584642-(5-{3-[4-(4-Chloro-phenyl)-4-methoxy-piperidin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

Sources & evidence

ORD record
ord-20208226a0dd436099c7a6e31735c40f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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