Methanol → 5-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1-isopropyl-1H-indole-2-carboxylic acid

HRID 297812

Reaction equation

HRID 297812 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH:31]([CH3:32])[CH3:33])[c:8]2[cH:9][cH:10][c:11]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22][CH2:23]3)[cH:12][c:13]2[cH:14]1.[CH3:42][OH:43].[Li+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:35].[OH2:34].[OH2:44]>>[O:3]=[C:4]([OH:5])[c:6]1[n:7]([CH:31]([CH3:32])[CH3:33])[c:8]2[cH:9][cH:10][c:11]([C:15](=[O:16])[N:17]3[CH2:18][CH2:19][N:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22][CH2:23]3)[cH:12][c:13]2[cH:14]1

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 685367535-(4-tert-Butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1-isopropyl-1H-indole-2-carboxylic acid ethyl ester

Product 1

HCID 685382125-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1-isopropyl-1H-indole-2-carboxylic acid

Sources & evidence

ORD record
ord-d8a9224caf0f4ec784274123a5b9a592
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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