Hydrochloric Acid → HCID 53766944, compound

HRID 2144273Notes

Reaction equation

HRID 2144273 reaction equation
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[ClH:13].[NH2:14][CH2:15][CH2:16][c:17]1[cH:18][nH:19][c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[NH:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH2:37][CH3:38])[cH:34][cH:35]3)[cH:24][c:25]12.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:12]>>[C:2](=[O:3])([O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:14][CH2:15][CH2:16][c:17]1[cH:18][nH:19][c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[NH:29][c:30]3[cH:31][cH:32][c:33]([O:36][CH2:37][CH3:38])[cH:34][cH:35]3)[cH:24][c:25]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 10387Benzyl chloroformateHCID 19660Carbonate IonHCID 19844114HCID 19844114, compound

Product 1

HCID 53766944HCID 53766944, compound

Sources & evidence

ORD record
ord-e5a7d3b102ac4633b8d432b1f04def22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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