Hydrochloric Acid → Benzamide derivative 19

HRID 1231517Notes

Reaction equation

HRID 1231517 reaction equation
[CH2:18]([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][C:28]2([C:31](=[O:32])[OH:33])[CH2:29][CH2:30]2)[cH:34][cH:35]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:68][CH2:69][Cl:70].[ClH:56].[IH:1].[IH:2].[OH2:36].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[cH:3]1[cH:4][n:5][c:6]2[n:7]1-[c:8]1[c:9]([cH:14][cH:15][cH:16][cH:17]1)[CH2:10][CH2:11][CH:12]2[NH2:13]>>[cH:3]1[cH:4][n:5][c:6]2[n:7]1-[c:8]1[c:9]([cH:14][cH:15][cH:16][cH:17]1)[CH2:10][CH2:11][CH:12]2[NH:13][C:31]([C:28]1([NH:27][C:25]([c:24]2[cH:23][cH:22][c:21]([O:20][CH2:18][CH3:19])[cH:35][cH:34]2)=[O:26])[CH2:29][CH2:30]1)=[O:32]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 24841Hydrogen iodide2×HCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 583040445,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-amineHCID 583041121-[(4-Ethoxybenzoyl)amino]cyclopropanecarboxylic acid

Product 1

HCID 75987522Benzamide derivative 19

Sources & evidence

ORD record
ord-cd36932e9109400abc518eefdca9902b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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