Hydrochloric Acid → Hydrochloric Acid

HRID 1153117Notes

Reaction equation

HRID 1153117 reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([NH:10][CH2:11][c:12]2[cH:13][n:14][n:15]([CH2:17][c:18]3[n:19][cH:20][cH:21][c:22]([CH3:24])[cH:23]3)[cH:16]2)[cH:8][cH:9]1.[CH:25]([CH3:26])([CH3:27])[c:28]1[c:29]([N:37]=[C:38]=[O:39])[c:30]([CH:34]([CH3:35])[CH3:36])[cH:31][cH:32][cH:33]1.[ClH:40].[ClH:47]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH2:11][c:12]2[cH:13][n:14][n:15]([CH2:17][c:18]3[n:19][cH:20][cH:21][c:22]([CH3:24])[cH:23]3)[cH:16]2)[C:38]([NH:37][c:29]2[c:28]([CH:25]([CH3:26])[CH3:27])[cH:33][cH:32][cH:31][c:30]2[CH:34]([CH3:35])[CH3:36])=[O:39])[cH:8][cH:9]1.[ClH:40]

Participants

6

Reactant 4

HCID 313Hydrochloric Acid2×HCID 8857Ethyl AcetateHCID 922592,6-Diisopropylphenyl isocyanateHCID 21957957HCID 21957957, compound

Product 2

HCID 313Hydrochloric AcidHCID 21051598HCID 21051598, compound

Sources & evidence

ORD record
ord-92989cd46ce14fe085e4071460639392
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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