Dichloromethane → N-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide

HRID 1224759Notes

Reaction equation

HRID 1224759 reaction equation
[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:11][N:12]([CH:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][n:21][c:22]32)[CH2:23][c:24]2[n:25][cH:26][c:27]([CH3:31])[cH:28][c:29]2[CH3:30])[c:7]([CH2:9][OH:10])[cH:8]1.[OH:55][n:56]1[c:57]2[c:58]([cH:59][cH:60][cH:61][cH:62]2)[n:63][n:64]1.[c:32]1([CH:38]([C:39](=[O:40])[OH:41])[CH2:42][CH3:43])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:11][N:12]([CH:13]2[CH2:14][CH2:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][n:21][c:22]32)[CH2:23][c:24]2[n:25][cH:26][c:27]([CH3:31])[cH:28][c:29]2[CH3:30])[c:7]([CH2:9][OH:10])[cH:8]1)[C:39]([CH:38]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:42][CH3:43])=[O:40]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 70122-Phenylbutyric AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 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 67272230N-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide

Sources & evidence

ORD record
ord-b24a6ce0b76f47598a46bb3961b3b6f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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