Hydrochloric Acid → Hydrochloric Acid

HRID 200610Notes

Reaction equation

HRID 200610 reaction equation
[B-:36]([F:37])([F:38])([F:39])[F:40].[CH2:69]([N:70]([CH:71]([CH3:72])[CH3:73])[CH:74]([CH3:75])[CH3:76])[CH3:77].[CH2:84]([Cl:85])[Cl:86].[CH3:1][O:2][c:3]1[c:4]([NH2:5])[cH:6][cH:7][cH:8][cH:9]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:87][CH2:88][O:89][CH2:90][CH3:91].[ClH:78].[NH2:10][c:11]1[c:12]([C:33](=[O:34])[OH:35])[n:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:21][cH:22]2)[cH:15][n:16]1.[OH2:58].[OH:59][n:60]1[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][O:2][c:3]1[c:4]([NH:5][C:33]([c:12]2[c:11]([NH2:10])[n:16][cH:15][c:14](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:21][cH:22]3)[n:13]2)=[O:34])[cH:6][cH:7][cH:8][cH:9]1.[ClH:78]

Participants

13

Reactant 11

HCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 70002-MethoxyanilineHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 685325113-Amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-pyrazinecarboxylic acid

Product 2

HCID 313Hydrochloric AcidHCID 100523363-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide

Sources & evidence

ORD record
ord-9dd4eafa223e47b8a509c958cf5ed9c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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