Ammonia → HCID 91193334, compound

HRID 294463Notes

Reaction equation

HRID 294463 reaction equation
[C:2]([CH3:3])(=[O:4])[S:5][CH:6]1[C:7](=[CH:25][c:26]2[n:27][n:28]([CH2:31][C:32](=[O:33])[OH:34])[cH:29][cH:30]2)[CH2:8][N:9]([CH:12]([C:13](=[O:14])[CH:15]2[CH2:16][CH2:17]2)[c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)[CH2:10][CH2:11]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cl:35][C:36]([O:37][CH2:38][CH:39]([CH3:40])[CH3:41])=[O:42].[Cl:49][CH2:50][Cl:51].[ClH:1].[NH3:43].[Na+:44].[OH:45][C:46](=[O:47])[O-:48]>>[C:2]([CH3:3])(=[O:4])[S:5][CH:6]1[C:7](=[CH:25][c:26]2[n:27][n:28]([CH2:31][C:32](=[O:34])[NH2:43])[cH:29][cH:30]2)[CH2:8][N:9]([CH:12]([C:13](=[O:14])[CH:15]2[CH2:16][CH2:17]2)[c:18]2[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]2)[CH2:10][CH2:11]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 91158957HCID 91158957, compound

Product 1

HCID 91193334HCID 91193334, compound

Sources & evidence

ORD record
ord-e3c2204e743f4832bbbe54179d4abc1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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