Hydrochloric Acid → 4-(cyclopropoxy)-N-[1-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-ylcarbamoyl)cyclopropyl]benzamide

HRID 1126605Notes

Reaction equation

HRID 1126605 reaction equation
[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH:16]1([O:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][C:27]3([C:30](=[O:31])[OH:32])[CH2:28][CH2:29]3)[cH:33][cH:34]2)[CH2:17][CH2:18]1.[Cl:65][CH2:66][Cl:67].[ClH:35].[OH2:47].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]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:30]([C:27]1([NH:26][C:24]([c:23]2[cH:22][cH:21][c:20]([O:19][CH:16]3[CH2:17][CH2:18]3)[cH:34][cH:33]2)=[O:25])[CH2:28][CH2:29]1)=[O:31]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 583040445,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-amineHCID 672344531-(4-Cyclopropoxybenzamido)cyclopropanecarboxylic acid

Product 1

HCID 672348194-(cyclopropoxy)-N-[1-(5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-ylcarbamoyl)cyclopropyl]benzamide

Sources & evidence

ORD record
ord-3ee865e550a4425d887214d02420f1fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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