Hydrochloric Acid → 2-Acetylamino-N-methyl-N-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-propionamide

HRID 189734

Reaction equation

HRID 189734 reaction equation
[C:26]([CH3:27])(=[O:28])[NH:29][CH:30]([CH3:31])[C:32](=[O:33])[OH:34].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][C:6]2([CH3:25])[CH:7]3[CH2:8][CH2:9][C:10]45[CH:11]([CH:12]3[CH2:13][CH:14]=[C:15]2[CH2:16]1)[CH2:17][CH2:18][CH:19]4[CH:20]([CH3:24])[N:21]([CH3:23])[CH2:22]5.[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[Cl:62][CH2:63][Cl:64].[ClH:35].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][C:6]2([CH3:25])[CH:7]3[CH2:8][CH2:9][C:10]45[CH:11]([CH:12]3[CH2:13][CH:14]=[C:15]2[CH2:16]1)[CH2:17][CH2:18][CH:19]4[CH:20]([CH3:24])[N:21]([CH3:23])[CH2:22]5)[C:32]([CH:30]([NH:29][C:26]([CH3:27])=[O:28])[CH3:31])=[O:34]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 7345N-Acetyl-DL-alanineHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 551434Kurchine

Product 1

HCID 674242702-Acetylamino-N-methyl-N-(2,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-2-aza-pentaleno[1,6a-a]phenanthren-9-yl)-propionamide

Sources & evidence

ORD record
ord-51546d2e46a7438f85a14cce8b61abf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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