Hydrochloric Acid → Benzamide derivative 19

HRID 1231188Notes

Reaction equation

HRID 1231188 reaction equation
[CH2:16]([CH3:17])[O:18][c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][C:26]2([C:29](=[O:30])[OH:31])[CH2:27][CH2:28]2)[cH:32][cH:33]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[ClH:44].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1.[cH:1]1[cH:2][n:3][c:4]2[n:5]1-[c:6]1[c:7]([cH:12][cH:13][cH:14][cH:15]1)[CH2:8][CH2:9][CH:10]2[NH2:11]>>[cH:1]1[cH:2][n:3][c:4]2[n:5]1-[c:6]1[c:7]([cH:12][cH:13][cH:14][cH:15]1)[CH2:8][CH2:9][CH:10]2[NH:11][C:29]([C:26]1([NH:25][C:23]([c:22]2[cH:21][cH:20][c:19]([O:18][CH2:16][CH3:17])[cH:33][cH:32]2)=[O:24])[CH2:27][CH2:28]1)=[O:30]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 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-02c1c2d8f4dd4d0ab1467493c3af33f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…