Ethanolamine → 1-[4-(3-cyano-1-cyclobutyl-6-ethoxy-1H-indol-2-yl)-phenyl]-3-(2-hydroxy-ethyl)-urea

HRID 205742

Reaction equation

HRID 205742 reaction equation
[Cl:26][C:27](=[O:28])[O:29][c:30]1[cH:31][cH:32][c:33]([N+:34]([O-:35])=[O:36])[cH:37][cH:38]1.[Cl:49][CH2:50][Cl:51].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:22]3[CH2:23][CH2:24][CH2:25]3)[c:10]3[cH:11][c:12]([O:19][CH2:20][CH3:21])[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1.[NH2:45][CH2:46][CH2:47][OH:48].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:22]3[CH2:23][CH2:24][CH2:25]3)[c:10]3[cH:11][c:12]([O:19][CH2:20][CH3:21])[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1)[C:27](=[O:28])[NH:45][CH2:46][CH2:47][OH:48]

Participants

6

Reactant 5

HCID 700EthanolamineHCID 1049PyridineHCID 6344DichloromethaneHCID 821294-Nitrophenyl chloroformateHCID 250520112-(4-Aminophenyl)-1-cyclobutyl-6-ethoxy-indole-3-carbonitrile

Product 1

HCID 594256701-[4-(3-cyano-1-cyclobutyl-6-ethoxy-1H-indol-2-yl)-phenyl]-3-(2-hydroxy-ethyl)-urea

Sources & evidence

ORD record
ord-e0d4e96446114feda66a4c0b62687e6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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