Hydrochloric Acid → HCID 18446829, compound

HRID 109321Notes

Reaction equation

HRID 109321 reaction equation
[C:23](#[N:24])[c:25]1[cH:26][c:27]([NH:31][CH:32]([C:33](=[O:34])[OH:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:28][cH:29][cH:30]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:8][c:9]1[c:10]([N:16]2[S:17](=[O:21])(=[O:22])[CH2:18][CH2:19][CH2:20]2)[cH:11][cH:12][c:13]([NH2:15])[cH:14]1.[ClH:42].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:54].[OH2:70].[OH:55][c:56]1[c:57]2[n:58][n:59][nH:60][c:61]2[cH:62][cH:63][cH:64]1>>[CH3:8][c:9]1[c:10]([N:16]2[S:17](=[O:21])(=[O:22])[CH2:18][CH2:19][CH2:20]2)[cH:11][cH:12][c:13]([NH:15][C:33]([CH:32]([NH:31][c:27]2[cH:26][c:25]([C:23]#[N:24])[cH:30][cH:29][cH:28]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:34])[cH:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 12042526HCID 12042526, compoundHCID 16642516HCID 16642516, compoundHCID 178418300HCID 178418300, compound

Product 1

HCID 18446829HCID 18446829, compound

Sources & evidence

ORD record
ord-24b5e47d3c64429a936d6670a9a5d62f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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