Ethanolamine → 1-(5-Tert-butyl-isoxazol-3-yl)-3-(4-{7-[2-(2-hydroxy-ethylamino)-ethoxy]-benzo[d]imidazo[2,1-b]thiazol-2-yl}-phenyl)-urea

HRID 125382Notes

Reaction equation

HRID 125382 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[s:23][c:24]5[c:25]([n:26]4[cH:27]3)[cH:28][cH:29][c:30]([O:32][CH2:33][CH2:34][Cl:35])[cH:31]5)[cH:18][cH:19]2)[n:8][o:9]1.[C:40](=[O:41])([O-:42])[O-:43].[I-:47].[K+:44].[K+:45].[NH2:36][CH2:37][CH2:38][OH:39].[Na+:46].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[s:23][c:24]5[c:25]([n:26]4[cH:27]3)[cH:28][cH:29][c:30]([O:32][CH2:33][CH2:34][NH:36][CH2:37][CH2:38][OH:39])[cH:31]5)[cH:18][cH:19]2)[n:8][o:9]1

Participants

8

Reactant 7

HCID 700EthanolamineHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 667941831-(5-Tert-butyl-isoxazol-3-yl)-3-{4-[7-(2-chloro-ethoxy)-benzo[d]imidazo[2,1-b]thiazol-2-yl]-phenyl}-urea

Product 1

HCID 462143101-(5-Tert-butyl-isoxazol-3-yl)-3-(4-{7-[2-(2-hydroxy-ethylamino)-ethoxy]-benzo[d]imidazo[2,1-b]thiazol-2-yl}-phenyl)-urea

Sources & evidence

ORD record
ord-f928fb34ca95415784f6ed35aba808f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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