Toluene → 3-(4-{[(3,5-Dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-1-ethyl-1-phenyl-urea

HRID 192273

Reaction equation

HRID 192273 reaction equation
[CH2:1]([CH3:2])[NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl:19][C:20]([Cl:21])=[O:22].[NH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:33][N:34]([CH:35]2[CH2:36][CH2:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][n:43][c:44]32)[CH2:45][c:46]2[n:47][cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52])[c:29]([CH2:31][OH:32])[cH:30]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH2:1]([CH3:2])[N:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C:20](=[O:22])[NH:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:33][N:34]([CH:35]2[CH2:36][CH2:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][n:43][c:44]32)[CH2:45][c:46]2[n:47][cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52])[c:29]([CH2:31][OH:32])[cH:30]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6228DimethylformamideHCID 6371PhosgeneHCID 7670N-EthylanilineHCID 81531DiisopropylethylamineHCID 67271935(5-Aminomethyl-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-phenyl)-methanol

Product 1

HCID 672721823-(4-{[(3,5-Dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-1-ethyl-1-phenyl-urea

Sources & evidence

ORD record
ord-db51f1f5877648b1b95ed25ec99cc808
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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