HCID 59674138, compound → Hydrochloric Acid

HRID 173903Notes

Reaction equation

HRID 173903 reaction equation
[CH3:27][S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][c:33]1[cH:34][c:35]([NH2:39])[cH:36][cH:37][cH:38]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:23])[c:14]([NH:16][CH:17]4[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]4)[n:15]3)[cH:24][cH:25]2)[CH3:26])[n:7]1>>[ClH:1].[c:2]1([NH:39][c:35]2[cH:34][c:33]([CH2:32][CH2:31][S:28]([CH3:27])(=[O:29])=[O:30])[cH:38][cH:37][cH:36]2)[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:23])[c:14]([NH:16][CH:17]4[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]4)[n:15]3)[cH:24][cH:25]2)[CH3:26])[n:7]1

Participants

4

Reactant 2

HCID 59674138HCID 59674138, compoundHCID 59674146HCID 59674146, compound

Product 2

HCID 313Hydrochloric AcidHCID 596741072-N-cyclohexyl-5-N,1-dimethyl-5-N-[2-[3-(2-methylsulfonylethyl)anilino]pyrimidin-4-yl]benzimidazole-2,5-diamine

Sources & evidence

ORD record
ord-e9fe44126162457fb5242d9f102a5b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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