Hydrochloric Acid → HCID 178499067, compound

HRID 294999

Reaction equation

HRID 294999 reaction equation
[C:71](=[O:72])([OH:73])[O-:74].[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:20]([OH:21])=[O:22])[cH:23][cH:24][cH:25]1)[C:15]2=[O:16].[CH3:28][O:29][C:30]([CH:31]([NH2:32])[CH:33]([OH:34])[CH3:35])=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:79]([Cl:80])([Cl:81])[Cl:82].[Cl:76][CH2:77][Cl:78].[ClH:27].[ClH:44].[Na+:75].[OH2:56].[OH:57][n:58]1[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1.[S:67]([Cl:68])([Cl:69])=[O:70]>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]2[c:7]([n:26]1)[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][N:14]([c:17]1[cH:18][c:19]([C:37]3=[N:32][CH:31]([C:30]([O:29][CH3:28])=[O:36])[CH:33]([CH3:35])[O:34]3)[cH:23][cH:24][cH:25]1)[C:15]2=[O:16]

Participants

13

Reactant 12

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 24386Thionyl ChlorideHCID 757711-HydroxybenzotriazoleHCID 324007Methyl 2-amino-3-hydroxybutanoateHCID 673505543-(13-Methylsulfanyl-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl)benzoic acid

Product 1

HCID 178499067HCID 178499067, compound

Sources & evidence

ORD record
ord-b21d02ba37e94191b3c0f1acbf031e05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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