Hydrochloric Acid → Hydrochloric Acid

HRID 188235Notes

Reaction equation

HRID 188235 reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH:44]1([N:45]=[C:46]=[N:47][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[ClH:31].[O:32]1[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][CH2:40][C:41](=[O:42])[OH:43])[CH2:36][CH2:37]1.[OH:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[CH:12]([CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22])[NH:8][C:7]([CH3:23])([CH3:24])[CH:6]1[CH:5]2[CH:28]([CH2:29][OH:30])[CH2:27][CH2:26][CH2:25]1>>[ClH:31].[O:1]([c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[CH:12]([CH2:13][CH2:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22])[NH:8][C:7]([CH3:23])([CH3:24])[CH:6]1[CH:5]2[CH:28]([CH2:29][OH:30])[CH2:27][CH2:26][CH2:25]1)[C:41]([CH2:40][CH2:39][CH2:38][N:35]1[CH2:34][CH2:33][O:32][CH2:37][CH2:36]1)=[O:42]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 798724-Morpholinebutanoic acidHCID 203374355,6,6a,7,8,9,10,10a-Octahydro-2-hydroxy-10-hydroxymethyl-6,6-dimethyl-3-(1-methyl-4-phenylbutyl)benzo[c]quinoline

Product 2

HCID 313Hydrochloric AcidHCID 20337469[10-(hydroxymethyl)-6,6-dimethyl-3-(5-phenylpentan-2-yl)-6a,7,8,9,10,10a-hexahydro-5H-phenanthridin-2-yl] 4-morpholin-4-ylbutanoate

Sources & evidence

ORD record
ord-ca9e5829d913482cbfeb13c01047613b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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