(quinolin-3-yl)thiourea → Hydrogen Bromide

HRID 684621Notes

Reaction equation

HRID 684621 reaction equation
[Br:28][CH2:29][C:30]([c:31]1[cH:32][c:33]([C:34]([O:35][CH3:36])=[S:37])[s:38][c:39]1[CH3:40])=[O:41].[CH3:1][S:2][c:3]1[c:4](-[c:12]2[n:13][c:14]([NH:17][c:18]3[cH:19][n:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[cH:27]3)[s:15][cH:16]2)[cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[s:7]1.[NH2:42][C:43]([NH:44][c:45]1[cH:46][n:47][c:48]2[c:49]([cH:50]1)[cH:51][cH:52][cH:53][cH:54]2)=[S:55]>>[BrH:28].[CH3:1][S:2][c:3]1[c:4](-[c:12]2[n:13][c:14]([NH:17][c:18]3[cH:19][n:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]4[cH:27]3)[s:15][cH:16]2)[cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[s:7]1

Participants

5

Reactant 3

HCID 1480927(quinolin-3-yl)thioureaHCID 18536963Methyl 5-methylthio-4-[2-(3-quinolylamino)(1,3-thiazol-4-yl)]thiophene-2-carboxylateHCID 86583828Methyl 4-(2-bromoacetyl)-5-methylthiothiophene-2-carboxylate

Product 2

HCID 260Hydrogen BromideHCID 18536963Methyl 5-methylthio-4-[2-(3-quinolylamino)(1,3-thiazol-4-yl)]thiophene-2-carboxylate

Sources & evidence

ORD record
ord-6b73765cc5e8455ab81953f8cb9cb400
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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