Hydrochloric Acid → 3-{1-(1,3-Benzodioxol-5-yl)-2-[(2-methoxy-4-methylphenyl)sulfonamido]-2-oxoethyl}-5-bromo-1-methyl-1H-indole

HRID 2151194Notes

Reaction equation

HRID 2151194 reaction equation
[CH3:50][O:51][c:52]1[c:53]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:54][cH:55][c:56]([CH3:58])[cH:57]1.[CH3:64][N:65]([CH3:66])[CH2:67][CH2:68][CH2:69][N:70]=[C:71]=[N:72][CH2:73][CH3:74].[CH3:75][N:76]([CH3:77])[c:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1.[Cl:84][CH2:85][Cl:86].[ClH:63].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[OH:13])[c:14]1[cH:15][n:16]([CH3:24])[c:17]3[cH:18][cH:19][c:20]([Br:23])[cH:21][c:22]13)[cH:9]2.[O:25]1[c:26]2[cH:27][cH:28][c:29]([CH:30]([c:31]3[c:32]4[c:33]([cH:34][cH:35][c:36]([Br:37])[cH:38]4)[n:39]([CH3:40])[cH:41]3)[C:42]([O:43][CH3:44])=[O:45])[cH:46][c:47]2[O:48][CH2:49]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[NH:62][S:59]([c:53]1[c:52]([O:51][CH3:50])[cH:57][c:56]([CH3:58])[cH:55][cH:54]1)(=[O:60])=[O:61])[c:14]1[cH:15][n:16]([CH3:24])[c:17]3[cH:18][cH:19][c:20]([Br:23])[cH:21][c:22]13)[cH:9]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 50933692-Methoxy-4-methylbenzenesulfonamideHCID 22467212Methyl 2-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methyl-1H-3-indolyl)acetateHCID 224672612-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methyl-1H-3-indolyl)acetic acid

Product 1

HCID 224672163-{1-(1,3-Benzodioxol-5-yl)-2-[(2-methoxy-4-methylphenyl)sulfonamido]-2-oxoethyl}-5-bromo-1-methyl-1H-indole

Sources & evidence

ORD record
ord-f0ea4f12337646b2bf570262a662172f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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