Hydrochloric Acid → Hydrochloric Acid

HRID 316473Notes

Reaction equation

HRID 316473 reaction equation
[CH:38]1([NH:39][C:40]([c:41]2[c:42]3[cH:43][c:44](-[c:45]4[c:46]([CH3:47])[cH:48][n:49][c:50]([NH:51][CH2:52][CH2:53][CH2:54][CH:55]5[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]5)[n:61]4)[s:62][c:63]3[cH:64][cH:65][cH:66]2)=[O:67])[CH2:68][CH2:69]1.[CH:3]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[s:14][c:15](-[c:18]4[n:19][c:20]([NH:25][CH2:26][CH2:27][CH2:28][CH:29]5[CH2:30][CH2:31][N:32]([CH:35]6[CH2:36][CH2:37]6)[CH2:33][CH2:34]5)[n:21][cH:22][c:23]4[Cl:24])[cH:16][c:17]23)[CH2:4][CH2:5]1.[ClH:1].[ClH:2]>>[CH:3]1([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]3[s:14][c:15](-[c:18]4[n:19][c:20]([NH:25][CH2:26][CH2:27][CH2:28][CH:29]5[CH2:30][CH2:31][N:32]([CH:35]6[CH2:36][CH2:37]6)[CH2:33][CH2:34]5)[n:21][cH:22][c:23]4[CH3:38])[cH:16][c:17]23)[CH2:4][CH2:5]1.[ClH:1].[ClH:24]

Participants

5

Reactant 3

HCID 313Hydrochloric Acid2×HCID 688547842-[5-Methyl-2-(3-piperidin-4-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamideHCID 688568902-[5-chloro-2-[3-(1-cyclopropylpiperidin-4-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide

Product 2

HCID 313Hydrochloric Acid2×HCID 68905585N-cyclopropyl-2-[2-[3-(1-cyclopropylpiperidin-4-yl)propylamino]-5-methylpyrimidin-4-yl]-1-benzothiophene-4-carboxamide

Sources & evidence

ORD record
ord-b229fd01c3f2484f88e9f9abe87679be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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