n,n-Dimethylpiperazine-1-carboxamide → 4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 200285

Reaction equation

HRID 200285 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:27])[OH:28])[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH3:29][N:30]([C:31](=[O:32])[N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[CH3:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:28])[N:36]4[CH2:35][CH2:34][N:33]([C:31]([N:30]([CH3:29])[CH3:39])=[O:32])[CH2:38][CH2:37]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1

Participants

3

Reactant 2

HCID 712909n,n-Dimethylpiperazine-1-carboxamideHCID 685356295-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid

Product 1

HCID 685356014-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b13a1c441f9d4c16937771abf57ab0f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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