Hydrochloric Acid → Hydrochloric Acid

HRID 2143265Notes

Reaction equation

HRID 2143265 reaction equation
[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[NH:8][CH:9]([CH:10]([OH:11])[CH3:12])[C:13](=[O:14])[NH2:15].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[Cl:53][CH2:54][Cl:55].[ClH:41].[NH2:16][c:17]1[cH:18][c:19]([CH:25]=[C:26]([C:27]#[N:28])[c:29]2[cH:30][c:31]([O:39][CH3:40])[c:32]([O:37][CH3:38])[c:33]([O:35][CH3:36])[cH:34]2)[cH:20][cH:21][c:22]1[O:23][CH3:24].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[ClH:41].[NH2:16][c:17]1[cH:18][c:19]([CH:25]=[C:26]([C:27]#[N:28])[c:29]2[cH:30][c:31]([O:39][CH3:40])[c:32]([O:37][CH3:38])[c:33]([O:35][CH3:36])[cH:34]2)[cH:20][cH:21][c:22]1[O:23][CH3:24].[NH2:8][CH:9]([CH:10]([OH:11])[CH3:12])[C:13](=[O:14])[NH2:15]

Participants

9

Reactant 6

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 20199599tert-butyl N-(1-amino-3-hydroxy-1-oxobutan-2-yl)carbamateHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Product 3

HCID 313Hydrochloric AcidHCID 5080758DL-ThreoninamideHCID 541022033-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Sources & evidence

ORD record
ord-9ad99a10f4134b2aa566448aaff99d1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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