Bicarbonate Ion → [2-(7-nitro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]methyl 2,2-dimethylpropanoate

HRID 176374Notes

Reaction equation

HRID 176374 reaction equation
[C:42](=[O:43])([OH:44])[O-:45].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH2:9][CH:10]([CH2:11][O:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[NH:19][C:20](=[O:21])[c:22]2[nH:23][c:24]3[c:25]([N+:31](=[O:32])[O-:33])[cH:26][cH:27][cH:28][c:29]3[cH:30]2)[cH:34][cH:35]1.[Cl:36][P:37]([Cl:38])([Cl:39])([Cl:40])[Cl:41].[Cl:47][CH2:48][Cl:49].[Na+:46]>>[S:8]1[CH2:9][CH:10]([CH2:11][O:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[N:19]=[C:20]1[c:22]1[nH:23][c:24]2[c:25]([N+:31](=[O:32])[O-:33])[cH:26][cH:27][cH:28][c:29]2[cH:30]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 24819Phosphorus pentachlorideHCID 72321894[3-[(4-methoxyphenyl)methylsulfanyl]-2-[(7-nitro-1H-indole-2-carbonyl)amino]propyl] 2,2-dimethylpropanoate

Product 1

HCID 66974171[2-(7-nitro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]methyl 2,2-dimethylpropanoate

Sources & evidence

ORD record
ord-c729b406763c4e5bab852a08801bd4ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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