Acetonitrile → Hydrochloric Acid

HRID 2143473Notes

Reaction equation

HRID 2143473 reaction equation
[C:30]([c:31]1[cH:32][c:33]2[c:34]([cH:35][cH:36]1)[nH:37][cH:38][c:39]2[CH2:40][CH2:41][CH2:42][C:43]([OH:44])=[O:45])#[N:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][NH:10][CH2:11][CH2:12][CH2:13]1.[CH3:47][C:48]#[N:49].[Cl:14][CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][nH:21][c:22]2[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][c:27]12>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]1([CH2:15][CH2:16][CH2:17][CH2:18][c:19]2[cH:20][nH:21][c:22]3[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][c:27]23)[CH2:9][NH:10][CH2:11][CH2:12][CH2:13]1.[ClH:14]

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 1145513-BenzylpiperidineHCID 98811233-(4-Chlorobutyl)-5-cyanoindoleHCID 183303011791404-50-6

Product 2

HCID 313Hydrochloric AcidHCID 18330252HCID 18330252, compound

Sources & evidence

ORD record
ord-2005cbfe841c4543814764cf594cf426
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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