Hydrochloric Acid → Hydrochloric Acid

HRID 1572963Notes

Reaction equation

HRID 1572963 reaction equation
[C:8]([N:12]([C:9](=[O:10])[O-:11])[C:16]1([c:20]2[cH:21][cH:22][c:23](-[c:26]3[n:27][c:28]4[c:29]([n:30][c:31]3-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:38]3[c:39]([cH:40][cH:41]4)[n:42][n:43][c:44]3-[c:45]3[n:46][cH:47][cH:48][n:49][cH:50]3)[cH:24][cH:25]2)[CH2:17][CH2:18][CH2:19]1)([CH3:13])([CH3:14])[CH3:15].[CH3:2][CH2:3][O:4][C:5]([CH3:6])=[O:7].[CH3:51][OH:52].[Cl:53][CH2:54][Cl:55].[ClH:1]>>[ClH:1].[NH2:12][C:16]1([c:20]2[cH:21][cH:22][c:23](-[c:26]3[n:27][c:28]4[c:29]([n:30][c:31]3-[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:38]3[c:39]([cH:40][cH:41]4)[n:42][n:43][c:44]3-[c:45]3[n:46][cH:47][cH:48][n:49][cH:50]3)[cH:24][cH:25]2)[CH2:17][CH2:18][CH2:19]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 178449607HCID 178449607, compound

Product 2

HCID 313Hydrochloric AcidHCID 578054521-[4-(12-Phenyl-3-pyrazin-2-yl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-11-yl)phenyl]cyclobutan-1-amine

Sources & evidence

ORD record
ord-82109a33ca71486f86cb67591f81fe13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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