Hydrochloric Acid → Hydrochloric Acid

HRID 677556Notes

Reaction equation

HRID 677556 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][CH2:12][NH2:13])[C:14](=[O:15])[NH2:16].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[Cl:54][CH2:55][Cl:56].[ClH:42].[NH2:17][c:18]1[cH:19][c:20]([CH:26]=[C:27]([C:28]#[N:29])[c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:21][cH:22][c:23]1[O:24][CH3:25].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:42].[NH2:17][c:18]1[cH:19][c:20]([CH:26]=[C:27]([C:28]#[N:29])[c:30]2[cH:31][c:32]([O:40][CH3:41])[c:33]([O:38][CH3:39])[c:34]([O:36][CH3:37])[cH:35]2)[cH:21][cH:22][c:23]1[O:24][CH3:25].[NH2:8][CH:9]([CH2:10][CH2:11][CH2:12][NH2:13])[C:14](=[O:15])[NH2:16]

Participants

9

Reactant 6

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 22373329tert-butyl N-(1,5-diamino-1-oxopentan-2-yl)carbamateHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Product 3

HCID 313Hydrochloric AcidHCID 178729712,5-DiaminopentanamideHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Sources & evidence

ORD record
ord-38aa743b51d54a868616ee13ea6392d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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