Hydrochloric Acid → HCID 44199404, compound

HRID 669838Notes

Reaction equation

HRID 669838 reaction equation
[CH3:23][Si:24]([c:25]1[cH:26][c:27]2[cH:28][c:29]([C:42](=[O:43])[OH:44])[n:30]([CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)[c:31]2[cH:32][cH:33]1)([CH3:45])[CH3:46].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[ClH:1].[NH2:47][c:48]1[cH:49][n:50][c:51]([N:54]2[CH2:55][CH2:56][CH2:57]2)[cH:52][cH:53]1.[Na+:62].[O-:58][C:59]([OH:60])=[O:61].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:13][n:14]1[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[CH3:23][Si:24]([c:25]1[cH:26][c:27]2[cH:28][c:29]([C:42](=[O:43])[NH:47][c:48]3[cH:49][n:50][c:51]([N:54]4[CH2:55][CH2:56][CH2:57]4)[cH:52][cH:53]3)[n:30]([CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)[c:31]2[cH:32][cH:33]1)([CH3:45])[CH3:46]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 552816836-(1-Azetidinyl)-3-pyridinamineHCID 581009535-trimethylsilyl-1-[(3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid

Product 1

HCID 44199404HCID 44199404, compound

Sources & evidence

ORD record
ord-3fd07c5d734e4d79884c206c74490c63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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