Acetonitrile → HCID 24763395, compound

HRID 2143446Notes

Reaction equation

HRID 2143446 reaction equation
[CH2:1]1[CH2:2][CH2:3][CH2:4][c:5]2[c:6]3[cH:7][c:8]([NH2:14])[cH:9][cH:10][c:11]3[nH:12][c:13]21.[CH3:63][C:64]#[N:65].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[F:39][P-:40]([F:41])([F:42])([F:43])([F:44])[F:45].[O:15]1[CH2:16][O:17][c:18]2[c:19]1[cH:20][cH:21][c:22]([C:24]1([C:27](=[O:28])[OH:29])[CH2:25][CH2:26]1)[cH:23]2.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH2:1]1[CH2:2][CH2:3][CH2:4][c:5]2[c:6]3[cH:7][c:8]([NH:14][C:27]([C:24]4([c:22]5[cH:21][cH:20][c:19]6[c:18]([cH:23]5)[O:17][CH2:16][O:15]6)[CH2:25][CH2:26]4)=[O:28])[cH:9][cH:10][c:11]3[nH:12][c:13]21

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 141182,3,4,9-tetrahydro-1H-carbazol-6-amineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 143496081-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid

Product 1

HCID 24763395HCID 24763395, compound

Sources & evidence

ORD record
ord-3040d8728e774a00a0810051c91cec23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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