Water → HCID 68488403, compound

HRID 123892Notes

Reaction equation

HRID 123892 reaction equation
[C-:46]#[N:47].[C-:49]#[N:50].[CH3:43][C:44]#[N:45].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]2[c:12]([c:13](-[c:16]3[n:17]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:18]4[cH:19][cH:20][c:21]([CH2:25][N:26]5[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:22][c:23]4[cH:24]3)[cH:14][cH:15]1)[C:11](=[O:39])[NH:10][CH2:9]2)(=[O:40])=[O:41].[OH2:42].[Zn+2:48]>>[c:7]1([C:44]#[N:45])[c:8]2[c:12]([c:13](-[c:16]3[n:17]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:18]4[cH:19][cH:20][c:21]([CH2:25][N:26]5[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]5)[cH:22][c:23]4[cH:24]3)[cH:14][cH:15]1)[C:11](=[O:39])[NH:10][CH2:9]2

Participants

6

Reactant 5

HCID 962WaterHCID 5975Cyanide2×HCID 6342AcetonitrileHCID 32051Zinc(2+)HCID 866282864-Trifluoromethanesulfonyloxy-7-(1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

Product 1

HCID 68488403HCID 68488403, compound

Sources & evidence

ORD record
ord-b4282159f30c47dba58715c963fb2dc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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