N-bromobutanimide → N-(2-ethoxy-5,6-difluorophenethyl)-N'-(5-bromopyrid-2-yl)-urea

HRID 1201795Notes

Reaction equation

HRID 1201795 reaction equation
[CH2:21]([O:23][c:22]1[cH:24][cH:25][c:26]([F:27])[c:28]([F:29])[c:30]1[CH2:31][CH2:32][NH2:33])[CH3:34].[CH2:35]([CH3:36])[O:37][c:38]1[c:39]([CH2:40][CH2:41][NH:42][C:43](=[S:44])[NH:45][c:46]2[n:47][cH:48][c:49]([Br:52])[cH:50][cH:51]2)[c:53]([F:58])[c:54]([F:57])[cH:55][cH:56]1.[O:59]=[C:60]1[N:61]([Br:62])[C:63](=[O:64])[CH2:65][CH2:66]1.[c:1]1([CH:2]2[CH2:3][CH:4]2[NH:5][C:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[cH:13][n:14]2)=[S:15])[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:23]=[C:43]([NH:42][CH2:41][CH2:40][c:39]1[c:38]([O:37][CH2:35][CH3:36])[cH:56][cH:55][c:54]([F:57])[c:53]1[F:58])[NH:45][c:46]1[n:47][cH:48][c:49]([Br:52])[cH:50][cH:51]1

Participants

5

Reactant 4

HCID 67184N-bromobutanimideHCID 3001126Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-ethoxy-2,3-difluorophenyl)ethyl)-HCID 107981222-Ethoxy-5,6-difluoro-phenethylamineHCID 226151401-(5-Chloro-2-pyridinyl)-3-(2-phenylcyclopropyl)thiourea

Product 1

HCID 22615117N-(2-ethoxy-5,6-difluorophenethyl)-N'-(5-bromopyrid-2-yl)-urea

Sources & evidence

ORD record
ord-6d64393cdd644c97b16000cda9fa1cb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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