Hydrochloric Acid → Hydrochloric Acid

HRID 1563844Notes

Reaction equation

HRID 1563844 reaction equation
[CH2:62]([Cl:63])[Cl:64].[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[ClH:34].[N:35]1([CH2:41][CH2:42][CH2:43][C:44](=[O:45])[OH:46])[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[OH:1][c:2]1[cH:3][c:4]([CH:25]([CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH3:32])[CH3:33])[cH:5][c:6]2[c:7]1[C:8]1=[C:13]([CH2:12][CH2:11][N:10]([CH2:18][C:19](=[O:20])[NH:21][C:22](=[O:23])[NH2:24])[CH2:9]1)[C:14]([CH3:16])([CH3:17])[O:15]2>>[ClH:34].[O:1]([c:2]1[cH:3][c:4]([CH:25]([CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH3:32])[CH3:33])[cH:5][c:6]2[c:7]1[C:8]1=[C:13]([CH2:12][CH2:11][N:10]([CH2:18][C:19](=[O:20])[NH:21][C:22](=[O:23])[NH2:24])[CH2:9]1)[C:14]([CH3:16])([CH3:17])[O:15]2)[C:44]([CH2:43][CH2:42][CH2:41][N:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:45]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 20794Butyric acid, 4-piperidino-HCID 20388001{[10-Hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridin-2-yl]acetyl}urea

Product 2

HCID 313Hydrochloric AcidHCID 54370122[2-[2-(carbamoylamino)-2-oxoethyl]-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate

Sources & evidence

ORD record
ord-a8aab89b78f740819fde3f17a1af23fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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