Hydrochloric Acid → HCID 20385596, compound

HRID 1218572Notes

Reaction equation

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

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 1140Toluene

HCID 3776Isopropanol

HCID 203856271-[3-{4-[(4-chloro-2-nitrophenyl)amino]-1-piperidinyl}propyl]-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

Product 1

HCID 20385596HCID 20385596, compound

Sources & evidence

ORD record: ord-29bf24b12045443eabb0957be0d8dea9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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