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Bromide ion → 7-chloro-5-methylidene-1-[6-(2-methylbenzoylamino)nicotinoyl]-2,3,4,5-tetrahydro-1H-benzazepine

HRID 94603
Notes
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Reaction equation

HRID 94603 reaction equation
[Br-:38].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:39][P+:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:37]1)[C:13](=[O:36])[CH2:14][CH2:15][CH2:16][N:17]2[C:18]([c:19]1[cH:20][n:21][c:22]([NH:25][C:26]([c:27]2[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]2)=[O:34])[cH:23][cH:24]1)=[O:35].[K+:6].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH2:1]=[C:13]1[c:12]2[c:11]([cH:10][cH:9][c:8]([Cl:7])[cH:37]2)[N:17]([C:18]([c:19]2[cH:20][n:21][c:22]([NH:25][C:26]([c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)=[O:34])[cH:23][cH:24]2)=[O:35])[CH2:16][CH2:15][CH2:14]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 259Bromide ionHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 74506TriphenylmethylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 229035137-chloro-5-oxo-1-[6-(2-methylbenzoylamino)nicotinoyl]-2,3,4,5-tetrahydro-1H-benzazepine

Product 1

HCID 22903466
7-chloro-5-methylidene-1-[6-(2-methylbenzoylamino)nicotinoyl]-2,3,4,5-tetrahydro-1H-benzazepine

Sources & evidence

ORD record
ord-a09c1191ddf14e3c9f2c21f739473bfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes