Hydrochloric Acid → 2-{6-Methoxy-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-2-yl}-benzaldehyde

HRID 95419Notes

Reaction equation

HRID 95419 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Cl:47][CH2:48][Cl:49].[ClH:40].[O:1]1[CH:2]([c:6]2[c:7](-[c:12]3[c:13]([C:23](=[O:24])[c:25]4[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][N:34]5[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]5)[cH:29][cH:30]4)[c:14]4[c:15]([s:16]3)[cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]4)[cH:8][cH:9][cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1.[OH2:41]>>[O:1]=[CH:2][c:6]1[c:7](-[c:12]2[c:13]([C:23](=[O:24])[c:25]3[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:29][cH:30]3)[c:14]3[c:15]([s:16]2)[cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 17987059[2-(2-[1,3]Dioxolan-2-yl-phenyl)-6-methoxy-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

Product 1

HCID 179870572-{6-Methoxy-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-2-yl}-benzaldehyde

Sources & evidence

ORD record
ord-2e4f64bba8924d0299a0df589c3aac51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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