Hydrochloric Acid → Hydrochloric Acid

HRID 313420Notes

Reaction equation

HRID 313420 reaction equation
[CH3:27][N:28]1[CH2:29][c:30]2[cH:31][c:32]([CH:33]=[CH:34][C:35]([OH:36])=[O:37])[cH:38][n:39][c:40]2[NH:41][C:42](=[O:43])[CH2:44]1.[CH3:45][NH:46][CH2:47][c:48]1[c:49]([CH3:57])[c:50]2[c:51]([s:52]1)[cH:53][cH:54][cH:55][cH:56]2.[CH3:58][NH:59][CH2:60][c:61]1[cH:62][cH:63][c:64]2[c:65]([cH:66][cH:67][cH:68][cH:69]2)[c:70]1[CH2:71][CH2:72][CH3:73].[ClH:1].[ClH:26].[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:25])[NH:12][c:13]3[c:14]([cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:23])[OH:24])[cH:18][n:19]3)[CH2:15]2)[CH2:6][CH2:7]1>>[ClH:1].[O:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:25])[NH:12][c:13]3[c:14]([cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:24])[N:46]([CH3:45])[CH2:47][c:48]4[c:49]([CH3:57])[c:50]5[c:51]([s:52]4)[cH:53][cH:54][cH:55][cH:56]5)[cH:18][n:19]3)[CH2:15]2)[CH2:6][CH2:7]1

Participants

7

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 669675133-[3-(2-Morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid

Product 2

HCID 313Hydrochloric AcidHCID 66966918N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide

Sources & evidence

ORD record
ord-7430c89c66004337be10877618c0f30b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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