Hydrochloric Acid → methyl 1-hydroxymethyl-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

HRID 1225418Notes

Reaction equation

HRID 1225418 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH:10]([CH2:27][OH:28])[c:11]2[c:12]3[cH:13][c:14]([C:23](=[O:24])[O:25][CH3:26])[nH:15][c:16]3[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[CH3:7].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH3:41][O:42][c:43]1[cH:44][c:45]2[cH:46][c:47]([C:56]([OH:57])=[O:58])[nH:48][c:49]2[c:50]([O:54][CH3:55])[c:51]1[O:52][CH3:53].[ClH:40].[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[O:5]=[C:6]([N:8]1[CH2:9][CH:10]([CH2:27][OH:28])[c:11]2[c:12]3[cH:13][c:14]([C:23](=[O:24])[O:25][CH3:26])[nH:15][c:16]3[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[c:47]1[cH:46][c:45]2[cH:44][c:43]([O:42][CH3:41])[c:51]([O:52][CH3:53])[c:50]([O:54][CH3:55])[c:49]2[nH:48]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 312751,4-DioxaneHCID 8210525,6,7-Trimethoxy-1H-indole-2-carboxylic acidHCID 10739197methyl 3-(t-butyloxycarbonyl)-1-hydroxymethyl-5-nitro-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

Product 1

HCID 10577983methyl 1-hydroxymethyl-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

Sources & evidence

ORD record
ord-2f35feda81734431b1c865f12fd6ae04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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