Acetonitrile → HCID 67334494, compound

HRID 2137354Notes

Reaction equation

[CH2:31]1[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[NH:39]1.[CH3:49][C:50]#[N:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Br:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:39]4[CH2:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][c:38]54)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 10328Indoline

HCID 81531Diisopropylethylamine

HCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 67334494HCID 67334494, compound

Sources & evidence

ORD record: ord-7bf312426bad49cfbedaf4c9149f0fdb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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