Hydrochloric Acid → 4-[2-(Morpholine-4-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 1136232

Reaction equation

HRID 1136232 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.[CH2:29]1[CH2:30][O:31][CH2:32][CH2:33][NH:34]1.[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[ClH:35]>>[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:34]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8083MorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 685356295-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid

Product 1

HCID 686828754-[2-(Morpholine-4-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a8a59ea7f8a548be9cf7541146f1320d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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