Chloride → HCID 72419050, compound

HRID 1542504Notes

Reaction equation

HRID 1542504 reaction equation
[Al+3:31].[C:34]([CH:35]([CH3:36])[CH3:37])(=[O:38])[Cl:39].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:2]12[CH:3]([N:9]3[CH2:10][CH2:11][CH:12]([c:15]4[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]4)[CH2:13][CH2:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8]2.[Cl-:30].[Cl-:32].[Cl-:33].[ClH:1]>>[CH:2]12[CH:3]([N:9]3[CH2:10][CH2:11][CH:12]([c:15]4[c:16]([O:21][CH3:22])[cH:17][cH:18][c:19]([C:34]([CH:35]([CH3:36])[CH3:37])=[O:38])[cH:20]4)[CH2:13][CH2:14]3)[CH2:4][CH:5]([CH2:6][CH2:7]1)[CH2:8]2

Participants

8

Reactant 7

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 8471TriethylamineHCID 62325Isobutyryl chlorideHCID 104727Aluminum CationHCID 58772031HCID 58772031, compound

Product 1

HCID 72419050HCID 72419050, compound

Sources & evidence

ORD record
ord-d9dc876a5cf44da6a347f41d236c4f00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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