Sulfuric Acid → HCID 22998295, compound

HRID 172433Notes

Reaction equation

HRID 172433 reaction equation
[Al+3:32].[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[NH:6][c:7]1[c:8]([cH:11][c:12]([Br:15])[cH:13][cH:14]1)[CH2:9][CH2:10]2.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:25][CH2:26][CH2:27][C:28]([Cl:29])=[O:30].[H-:31].[H-:34].[H-:35].[H-:36].[Li+:33].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[N:6]([CH2:28][CH2:27][CH2:26][Cl:25])[c:7]1[c:8]([cH:11][c:12]([Br:15])[cH:13][cH:14]1)[CH2:9][CH2:10]2

Participants

10

Reactant 9

HCID 1118Sulfuric AcidHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28486Lithium ionHCID 693643-Chloropropionyl chlorideHCID 104727Aluminum CationHCID 166653Hydride4×HCID 640268HCID 640268, compound

Product 1

HCID 22998295HCID 22998295, compound

Sources & evidence

ORD record
ord-59627542a9f94900a95b913d4a68262d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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