Hydrochloric Acid → tert-butyl 2-{[1-(chloromethyl)-3-({5-[2-(dimethylamino)ethoxy]indol-2-yl}carbonyl)-5-nitro-1,2-dihydro-3H-benzo[e]indol-7-yl]sulfonyl}hydrazinecarboxylate

HRID 177043Notes

Reaction equation

HRID 177043 reaction equation
[CH3:32][N:33]([CH2:34][CH2:35][O:36][c:37]1[cH:38][c:39]2[cH:40][c:41]([C:46](=[O:47])[OH:48])[nH:42][c:43]2[cH:44][cH:45]1)[CH3:49].[CH3:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60].[CH3:61][c:62]1[cH:63][cH:64][c:65]([S:66]([OH:67])(=[O:68])=[O:69])[cH:70][cH:71]1.[Cl:1][CH2:2][CH:3]1[CH2:4][NH:5][c:6]2[cH:7][c:8]([N+:28](=[O:29])[O-:30])[c:9]3[c:10]([c:11]21)[cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[NH:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:15]3.[ClH:31].[Na+:76].[O-:72][C:73]([OH:74])=[O:75]>>[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]([C:46]([c:41]2[cH:40][c:39]3[cH:38][c:37]([O:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:49])[cH:45][cH:44][c:43]3[nH:42]2)=[O:47])[c:6]2[cH:7][c:8]([N+:28](=[O:29])[O-:30])[c:9]3[c:10]([c:11]21)[cH:12][cH:13][c:14]([S:16](=[O:17])(=[O:18])[NH:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:15]3

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6101p-Toluenesulfonic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 106819935-(2-(Dimethylamino)ethoxy)-1H-indole-2-carboxylic acidHCID 68691139tert-butyl 2-{[1-(chloromethyl)-5-nitro-1,2-dihydro-3H-benzo[e]indol-7-yl]sulfonyl}hydrazinecarboxylate

Product 1

HCID 68697420tert-butyl 2-{[1-(chloromethyl)-3-({5-[2-(dimethylamino)ethoxy]indol-2-yl}carbonyl)-5-nitro-1,2-dihydro-3H-benzo[e]indol-7-yl]sulfonyl}hydrazinecarboxylate

Sources & evidence

ORD record
ord-02feae94a9af459ab7d4852802ba8e9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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