Hydrochloric Acid → HCID 178480022, compound

HRID 2344224Notes

Reaction equation

HRID 2344224 reaction equation
[CH3:2][n:3]1[n:4][cH:5][c:6](-[c:8]2[cH:9][c:10]3[c:15]([cH:16][cH:17]2)[O:14][C:13]2([CH2:12][C:11]3=[O:23])[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:7]1.[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[ClH:1].[ClH:35].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:24].[OH2:67].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[nH:47]1[n:48][n:49][n:50][c:51]1-[c:52]1[cH:53][c:54]([C:64](=[O:65])[OH:66])[cH:55][c:56](-[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:57]1>>[CH3:2][n:3]1[n:4][cH:5][c:6](-[c:8]2[cH:9][c:10]3[c:15]([cH:16][cH:17]2)[O:14][C:13]2([CH2:12][C:11]3=[O:23])[CH2:18][CH2:19][N:20]([C:64]([c:54]3[cH:53][c:52](-[c:51]4[n:47][n:48][n:49][nH:50]4)[cH:57][c:56](-[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:55]3)=[O:65])[CH2:21][CH2:22]2)[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 575192446-(1-methyl-1H-pyrazol-4-yl)spiro[chroman-2,4'-piperidin]-4-oneHCID 178524111HCID 178524111, compound

Product 1

HCID 178480022HCID 178480022, compound

Sources & evidence

ORD record
ord-32b7ccb3a40b4a41b146c1b4f384cc89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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