Nitrogen → HCID 68506955, compound

HRID 1210074Notes

Reaction equation

HRID 1210074 reaction equation
[CH2:1]([CH2:2][CH:3]=[CH2:25])[NH:5][C:6]([CH2:7][n:8]1[c:9](-[c:32]2[cH:33][c:34]3[cH:35][cH:36][c:37](-[c:42]4[c:43]([CH3:48])[n:44][c:45]([CH3:47])[s:46]4)[n:38][c:39]3[cH:40][cH:41]2)[c:10]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[NH:19][S:20](=[O:21])(=[O:22])[CH2:23][CH:24]=[CH2:4])[cH:15][c:16]12)=[O:49].[N:50]#[N:51]>>[CH2:1]1[CH2:2][CH:3]=[CH:24][CH2:23][S:20](=[O:21])(=[O:22])[NH:19][C:17](=[O:18])[c:14]2[cH:13][cH:12][c:11]3[c:10]([CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[c:9](-[c:32]4[cH:33][c:34]5[cH:35][cH:36][c:37](-[c:42]6[c:43]([CH3:48])[n:44][c:45]([CH3:47])[s:46]6)[n:38][c:39]5[cH:40][cH:41]4)[n:8]([c:16]3[cH:15]2)[CH2:7][C:6](=[O:49])[NH:5]1

Participants

3

Reactant 2

HCID 947NitrogenHCID 59549089N-but-3-enyl-2-[3-cyclohexyl-2-[2-(2,4-dimethyl-thiazol-5-yl)-quinolin-6-yl]-6-(prop-2-ene-1-sulfonyl-aminocarbonyl)-indol-1-yl]-acetamide

Product 1

HCID 68506955HCID 68506955, compound

Sources & evidence

ORD record
ord-def504f711b442199966cad90d858a81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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