Hydrochloric Acid → HCID 66966890, compound

HRID 2144548Notes

Reaction equation

HRID 2144548 reaction equation
[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:23])[NH:10][c:11]2[c:12]([cH:14][c:15]([CH:18]=[CH:19][C:20](=[O:21])[OH:22])[cH:16][n:17]2)[CH2:13]1.[CH3:25][N:26]1[CH2:27][c:28]2[cH:29][c:30]([CH:31]=[CH:32][C:33]([OH:34])=[O:35])[cH:36][n:37][c:38]2[NH:39][C:40](=[O:41])[CH2:42]1.[CH3:43][NH:44][CH2:45][c:46]1[c:47]([CH3:55])[c:48]2[c:49]([s:50]1)[cH:51][cH:52][cH:53][cH:54]2.[CH3:56][NH:57][CH2:58][c:59]1[cH:60][cH:61][c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[c:68]1[CH2:69][CH2:70][CH3:71].[ClH:1].[ClH:24]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][N:8]1[C:9](=[O:23])[NH:10][c:11]2[c:12]([cH:14][c:15]([CH:18]=[CH:19][C:20](=[O:22])[N:44]([CH3:43])[CH2:45][c:46]3[c:47]([CH3:55])[c:48]4[c:49]([s:50]3)[cH:51][cH:52][cH:53][cH:54]4)[cH:16][n:17]2)[CH2:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 22593745N-methyl(3-methylbenzo[b]thiophen-2-yl)methanamineHCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 66966909HCID 66966909, compound

Product 1

HCID 66966890HCID 66966890, compound

Sources & evidence

ORD record
ord-fa0d1549f5fc431c87786299021b2673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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