(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonate → N-cyclopropyl-3-fluoro-4-methyl-5-[3-[2-[2-(oxiran-2-ylmethoxy)phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzamide

HRID 181140Notes

Reaction equation

HRID 181140 reaction equation
[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:31])[c:9]([CH3:30])[c:10](-[n:12]3[c:13](=[O:29])[c:14]([NH:18][C:19]([CH3:20])([CH3:21])[c:22]4[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]4)[n:15][cH:16][cH:17]3)[cH:11]2)=[O:32])[CH2:2][CH2:3]1.[N+:33]([c:34]1[cH:35][c:36]([S:37]([O:38][CH2:46][CH:47]2[O:48][CH2:49]2)(=[O:39])=[O:40])[cH:41][cH:42][cH:43]1)([O-:44])=[O:45]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:31])[c:9]([CH3:30])[c:10](-[n:12]3[c:13](=[O:29])[c:14]([NH:18][C:19]([CH3:20])([CH3:21])[c:22]4[c:23]([O:28][CH2:46][CH:47]5[O:48][CH2:49]5)[cH:24][cH:25][cH:26][cH:27]4)[n:15][cH:16][cH:17]3)[cH:11]2)=[O:32])[CH2:2][CH2:3]1

Participants

3

Reactant 2

HCID 286836(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateHCID 66689080N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide

Product 1

HCID 87108846N-cyclopropyl-3-fluoro-4-methyl-5-[3-[2-[2-(oxiran-2-ylmethoxy)phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzamide

Sources & evidence

ORD record
ord-2c4311dd0fd44875bfbc991e6bb03efb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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