Hydrochloric Acid → Hydrochloric Acid

HRID 168651Notes

Reaction equation

HRID 168651 reaction equation
[Cl:42][CH2:43][Cl:44].[ClH:41].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[c:1]1(-[c:7]2[n:8][c:9]3[n:10]([c:24]2-[c:25]2[cH:26][cH:27][c:28]([CH:31]([CH3:32])[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:29][cH:30]2)-[c:11]2[c:12]([n:20][cH:21][cH:22][cH:23]2)[NH:13][c:14]2[c:15]-3[cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:41].[c:1]1(-[c:7]2[n:8][c:9]3[n:10]([c:24]2-[c:25]2[cH:26][cH:27][c:28]([CH:31]([CH3:32])[NH2:33])[cH:29][cH:30]2)-[c:11]2[c:12]([n:20][cH:21][cH:22][cH:23]2)[NH:13][c:14]2[c:15]-3[cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 77601267tert-butyl N-[1-[4-(4-phenyl-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]ethyl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 773044331-[4-(4-Phenyl-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]ethanamine

Sources & evidence

ORD record
ord-3d741f1159e04f2788c831f0624d78d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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