Hydrochloric Acid → Hydrochloric Acid

HRID 2332874Notes

Reaction equation

HRID 2332874 reaction equation
[CH2:1]([CH:2]=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH2:12][C:13]2=[C:14]([CH2:15]1)[c:16]1[c:17]([cH:26][c:27]([CH2:31][CH:32]3[CH2:33][CH2:34]3)[cH:28][c:29]1[OH:30])[O:18][C:19]2([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25].[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:35].[N:36]1([CH2:41][CH2:42][CH2:43][C:44](=[O:45])[OH:46])[CH2:37][CH2:38][CH2:39][CH2:40]1>>[CH2:1]([CH:2]=[CH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:10]1[CH2:11][CH2:12][C:13]2=[C:14]([CH2:15]1)[c:16]1[c:17]([cH:26][c:27]([CH2:31][CH:32]3[CH2:33][CH2:34]3)[cH:28][c:29]1[O:30][C:44]([CH2:43][CH2:42][CH2:41][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:45])[O:18][C:19]2([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25].[ClH:35]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 10868DicyclohexylcarbodiimideHCID 148556811-Pyrrolidinebutanoic acidHCID 544792892-Cinnamyl-8-cyclopropylmethyl-5,5-di(1-propyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine

Product 2

HCID 313Hydrochloric AcidHCID 54273845[8-(cyclopropylmethyl)-2-(3-phenylprop-2-enyl)-5,5-dipropyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-pyrrolidin-1-ylbutanoate

Sources & evidence

ORD record
ord-ac6c9bff395b47a0953def11e9abcc8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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