Hydrochloric Acid → HCID 58997205, compound

HRID 199754Notes

Reaction equation

HRID 199754 reaction equation
[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:32][C:33]([Cl:34])=[O:35].[ClH:38].[NH2:36][OH:37].[NH:1]1[CH2:2][CH:3]([CH2:5][N:6]([CH2:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[CH3:14])[CH2:15][c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[CH3:22])[CH2:4]1.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[N:1]1([C:33](=[O:35])[NH:36][OH:37])[CH2:2][CH:3]([CH2:5][N:6]([CH2:7][c:8]2[n:9][cH:10][cH:11][cH:12][c:13]2[CH3:14])[CH2:15][c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[CH3:22])[CH2:4]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 787HydroxylamineHCID 923Sodium ionHCID 1140TolueneHCID 6371PhosgeneHCID 81531DiisopropylethylamineHCID 67271892HCID 67271892, compound

Product 1

HCID 58997205HCID 58997205, compound

Sources & evidence

ORD record
ord-efacce9976b04c07bedb507ebeaf5f66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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