Water → Acetic acid (2RS,4aRS,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl ester

HRID 188379Notes

Reaction equation

HRID 188379 reaction equation
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:7][O:8][c:9]1[n:10][c:11]([O:39][CH3:40])[cH:12][cH:13][c:14]1[C:15](=[O:16])[NH:17][CH:18]1[CH:19]([c:28]2[cH:29][c:30]([O:36][CH2:37][CH3:38])[c:31]([O:34][CH3:35])[cH:32][cH:33]2)[CH2:20][CH:21]([O:24][C:25]([CH3:26])=[O:27])[CH2:22][CH2:23]1.[Cl:1][P:2]([Cl:3])([Cl:4])([Cl:5])[Cl:6].[Cl:49][CH2:50][Cl:51].[OH2:48]>>[CH3:7][O:8][c:9]1[n:10][c:11]([O:39][CH3:40])[cH:12][cH:13][c:14]1[C:15]1=[N:17][CH:18]2[CH:19]([CH2:20][CH:21]([O:24][C:25]([CH3:26])=[O:27])[CH2:22][CH2:23]2)[c:28]2[cH:29][c:30]([O:36][CH2:37][CH3:38])[c:31]([O:34][CH3:35])[cH:32][c:33]21

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24819Phosphorus pentachlorideHCID 67022608acetic acid (1RS,3RS,4RS)-4-{[1-(2,6-dimethoxy-pyridin-3-yl)methanoyl]amino}-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester

Product 1

HCID 67023839Acetic acid (2RS,4aRS,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl ester

Sources & evidence

ORD record
ord-d569637331f141538a139a01444e4301
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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