Hydrochloric Acid → HCID 24853021, compound

HRID 2126386Notes

Reaction equation

HRID 2126386 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]32)[cH:20][cH:21]1.[CH3:54][N:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[Cl:22][C:23]([Cl:24])([O:25][C:26]([O:27][C:28]([Cl:29])([Cl:30])[Cl:31])=[O:32])[Cl:33].[Cl:51][CH2:52][Cl:53].[ClH:34].[ClH:35].[NH:36]1[CH2:37][CH:38]([c:41]2[cH:42][n:43][nH:44][cH:45]2)[CH2:39][CH2:40]1.[Na+:46].[OH2:61].[OH:47][C:48](=[O:49])[O-:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([C:26](=[O:32])[N:36]3[CH2:37][CH:38]([c:41]4[cH:42][n:43][nH:44][cH:45]4)[CH2:39][CH2:40]3)[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]32)[cH:20][cH:21]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 94429TriphosgeneHCID 67187230HCID 67187230, compoundHCID 67190176HCID 67190176, compound

Product 1

HCID 24853021HCID 24853021, compound

Sources & evidence

ORD record
ord-4070d7bd4f804b6eb3468dfb4ff5edbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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