Hydrochloric Acid → Hydrochloric Acid

HRID 307773Notes

Reaction equation

HRID 307773 reaction equation
[CH2:66]([Cl:67])[Cl:68].[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[ClH:14].[ClH:60].[O:15]1[c:16]2[c:17]([n:21][cH:22][c:23]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:24]2)[NH:18][CH2:19][CH2:20]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:69].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)[C:27]([CH:26]=[CH:25][c:23]1[cH:22][n:21][c:17]2[c:16]([cH:24]1)[O:15][CH2:20][CH2:19][NH:18]2)=[O:29].[ClH:14]

Participants

11

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 669049303-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acidHCID 66967084Methyl(2-methylbenzofuran-3-ylmethyl)amine

Product 2

HCID 313Hydrochloric AcidHCID 669676423-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-822d8ba4325e4408bfeb885d1697daeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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