Hydrochloric Acid → Hydrochloric Acid

HRID 702293Notes

Reaction equation

HRID 702293 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH2:19].[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[Cl:57][CH2:58][Cl:59].[ClH:45].[NH2:20][c:21]1[cH:22][c:23]([CH:29]=[C:30]([C:31]#[N:32])[c:33]2[cH:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[c:37]([O:39][CH3:40])[cH:38]2)[cH:24][cH:25][c:26]1[O:27][CH3:28].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[ClH:45].[NH2:20][c:21]1[cH:22][c:23]([CH:29]=[C:30]([C:31]#[N:32])[c:33]2[cH:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[c:37]([O:39][CH3:40])[cH:38]2)[cH:24][cH:25][c:26]1[O:27][CH3:28].[NH2:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH2:19]

Participants

9

Reactant 6

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 546323tert-butyl N-(1-carbamoyl-2-phenylethyl)carbamateHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Product 3

HCID 313Hydrochloric AcidHCID 1940972-Amino-3-phenylpropanamideHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Sources & evidence

ORD record
ord-6c0a282f23b04fd3ab16e62c0728828a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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