Water → 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

HRID 1551211Notes

Reaction equation

HRID 1551211 reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[N:23]1([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[n:9]([c:18]3[c:13]([cH:12]1)[cH:14][cH:15][c:16]([C:19](=[O:20])[O:21][CH3:22])[cH:17]3)[CH2:8][CH:7]=[CH:6]2.[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1-[c:10]1[n:9]([c:18]3[c:13]([cH:12]1)[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17]3)[CH2:8][CH:7]=[CH:6]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68832135methyl 7H-indolo[2,1-a][2]benzazepine-10-carboxylate

Product 1

HCID 666396797H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Sources & evidence

ORD record
ord-5bdb8b00631f475da3342fe5413b20ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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